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Oxepanes

Organic heterocyclic compounds that consist of a seven-membered ring in which one methylene group is replaced by oxygen.

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1

epsilon-Caprolactone monomer, 99%

CAS: 502-44-3 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1

EDGE
PubChem CID 10401
CAS 502-44-3
ChEBI CHEBI:17915
MDL Number MFCD00003267
SMILES C1CCC(=O)OCC1
Synonym 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane
IUPAC Name oxepan-2-one
InChI Key PAPBSGBWRJIAAV-UHFFFAOYSA-N
2

epsilon-Caprolactone, 99%

CAS: 502-44-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00003267 InChI Key: PAPBSGBWRJIAAV-UHFFFAOYSA-N Synonym: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 IUPAC Name: oxepan-2-one SMILES: C1CCC(=O)OCC1

EDGE
PubChem CID 10401
CAS 502-44-3
Molecular Weight (g/mol) 114.144
ChEBI CHEBI:17915
MDL Number MFCD00003267
SMILES C1CCC(=O)OCC1
Synonym 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane
IUPAC Name oxepan-2-one
InChI Key PAPBSGBWRJIAAV-UHFFFAOYSA-N
Molecular Formula C6H10O2
3

Perhydrocyclobuta[c]furan-1,3-dione, 97%, Thermo Scientific™

CAS: 4462-96-8 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.111 InChI Key: NMNZZIMBGSGRPN-UHFFFAOYSA-N Synonym: 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis PubChem CID: 138261 IUPAC Name: 3-oxabicyclo[3.2.0]heptane-2,4-dione SMILES: C1CC2C1C(=O)OC2=O

PubChem CID 138261
CAS 4462-96-8
Molecular Weight (g/mol) 126.111
SMILES C1CC2C1C(=O)OC2=O
Synonym 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis
IUPAC Name 3-oxabicyclo[3.2.0]heptane-2,4-dione
InChI Key NMNZZIMBGSGRPN-UHFFFAOYSA-N
Molecular Formula C6H6O3
4

Deoxy Artemisinin, TRC

CAS: 72826-63-2 Molecular Formula: C15 H22 O4 Molecular Weight (g/mol): 266.33 Synonym: 10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, (3R,3aS,6R,6aS,9S,10aS,10bR)-,10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, [3R-(3α,3aβ,6β,6aβ,9β,10aα,10bβ)]-,(3R,3aS,6R,6aS,9S,10aS,10bR)-Octahydro-3,6,9-trimethyl-10aH-9,10b-epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one,2-Deoxyartemisinin,2-Desoxyartemisinin,Deoxyarteannuin,Deoxyartemisinin,Deoxyqinghaosu,Desoxyartemisinin,Hydroarteannuin,Qing Hau Sau III,Qinghaosu III,(3R,3aS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4

CAS 72826-63-2
Molecular Weight (g/mol) 266.33
SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4
Synonym 10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, (3R,3aS,6R,6aS,9S,10aS,10bR)-,10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, [3R-(3α,3aβ,6β,6aβ,9β,10aα,10bβ)]-,(3R,3aS,6R,6aS,9S,10aS,10bR)-Octahydro-3,6,9-trimethyl-10aH-9,10b-epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one,2-Deoxyartemisinin,2-Desoxyartemisinin,Deoxyarteannuin,Deoxyartemisinin,Deoxyqinghaosu,Desoxyartemisinin,Hydroarteannuin,Qing Hau Sau III,Qinghaosu III,(3R,3aS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one
Molecular Formula C15 H22 O4
5

Thermo Scientific Chemicals 1,6-Anhydro-beta-D-glucopyranose, 99+%

CAS: 498-07-7 Molecular Formula: C6H10O5 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00063248 InChI Key: TWNIBLMWSKIRAT-UHFFFAOYNA-N Synonym: 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose PubChem CID: 2724705 ChEBI: CHEBI:30997 SMILES: OC1C2COC(O2)C(O)C1O

PubChem CID 2724705
CAS 498-07-7
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:30997
MDL Number MFCD00063248
SMILES OC1C2COC(O2)C(O)C1O
Synonym 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose
InChI Key TWNIBLMWSKIRAT-UHFFFAOYNA-N
Molecular Formula C6H10O5
6

Conduritol B Epoxide, TRC

CAS: 6090-95-5 Molecular Formula: C6 H10 O5 Molecular Weight (g/mol): 162.14 Synonym: myo-Inositol, 1,2-anhydro-,DL-myo-Inositol, 1,2-anhydro-,Inositol, 1,2-anhydro-, myo- (8CI),1,2-Anhydro-myo-inositol,Conduritol B epoxide,1,2-Anhydro-DL-myo-inositol IUPAC Name: (1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O

CAS 6090-95-5
Molecular Weight (g/mol) 162.14
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O
Synonym myo-Inositol, 1,2-anhydro-,DL-myo-Inositol, 1,2-anhydro-,Inositol, 1,2-anhydro-, myo- (8CI),1,2-Anhydro-myo-inositol,Conduritol B epoxide,1,2-Anhydro-DL-myo-inositol
IUPAC Name (1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
Molecular Formula C6 H10 O5
7

1,6-Anhydro-beta-D-mannopyranose, TRC

CAS: 14168-65-1 Molecular Formula: C6 H10 O5 Molecular Weight (g/mol): 162.14 Synonym: Mannopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-mannopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-mannopyranose deriv.,1,6-Anhydro-D-mannose,1,6-Anhydromannose,Mannosan,NSC 226600 IUPAC Name: (1R,2S,3S,4S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol SMILES: O[C@@H]1[C@H]2CO[C@H](O2)[C@@H](O)[C@H]1O

CAS 14168-65-1
Molecular Weight (g/mol) 162.14
SMILES O[C@@H]1[C@H]2CO[C@H](O2)[C@@H](O)[C@H]1O
Synonym Mannopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-mannopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-mannopyranose deriv.,1,6-Anhydro-D-mannose,1,6-Anhydromannose,Mannosan,NSC 226600
IUPAC Name (1R,2S,3S,4S,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Molecular Formula C6 H10 O5
8

Epoxy Metradiene, TRC

CAS: 83873-16-9 Molecular Formula: C22 H28 O4 Molecular Weight (g/mol): 356.46 Synonym: Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17-hydroxy-6-methyl-, (6α,9β,11β)-,Epoxymedradiene SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@@H]4O[C@]24[C@@]5(C)C=CC(=O)C=C15

CAS 83873-16-9
Molecular Weight (g/mol) 356.46
SMILES C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C)[C@@]3(C)C[C@@H]4O[C@]24[C@@]5(C)C=CC(=O)C=C15
Synonym Pregna-1,4-diene-3,20-dione, 9,11-epoxy-17-hydroxy-6-methyl-, (6α,9β,11β)-,Epoxymedradiene
Molecular Formula C22 H28 O4
10

Deepoxydeoxynivalenol, TRC

CAS: 88054-24-4 Molecular Formula: C15 H20 O5 Molecular Weight (g/mol): 280.316 Synonym: (3α,7α)-3,7,15-Trihydroxytrichotheca-9,12-dien-8-one,2,5-Methano-1-benzoxepin, trichotheca-9,12-dien-8-one deriv.,DOM 1,Deepoxydeoxynivalenol IUPAC Name: (1S,2R,3S,7R,9S,10R)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-one SMILES: CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C3=C)C2(CO)[C@H](O)C1=O

CAS 88054-24-4
Molecular Weight (g/mol) 280.316
SMILES CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)(C3=C)C2(CO)[C@H](O)C1=O
Synonym (3α,7α)-3,7,15-Trihydroxytrichotheca-9,12-dien-8-one,2,5-Methano-1-benzoxepin, trichotheca-9,12-dien-8-one deriv.,DOM 1,Deepoxydeoxynivalenol
IUPAC Name (1S,2R,3S,7R,9S,10R)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-12-methylidene-8-oxatricyclo[7.2.1.02,7]dodec-5-en-4-one
Molecular Formula C15 H20 O5
11

1,6-Anhydro-beta-D-galactose, TRC

CAS: 644-76-8 Molecular Formula: C6 H10 O5 Molecular Weight (g/mol): 162.14 Synonym: Galactopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-galactopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-galactopyranose deriv.,D-Galactosan,Galactosan,Levogalactosan,NSC 1376,Galactopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-galactopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-galactopyranose deriv.,D-Galactosan,Galactosan,Levogalactosan,NSC 1376 IUPAC Name: (1R,2R,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol SMILES: O[C@H]1[C@H]2CO[C@H](O2)[C@H](O)[C@H]1O

CAS 644-76-8
Molecular Weight (g/mol) 162.14
SMILES O[C@H]1[C@H]2CO[C@H](O2)[C@H](O)[C@H]1O
Synonym Galactopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-galactopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-galactopyranose deriv.,D-Galactosan,Galactosan,Levogalactosan,NSC 1376,Galactopyranose, 1,6-anhydro-, β-D- (6CI,8CI),1,6-Anhydro-β-D-galactopyranose,6,8-Dioxabicyclo[3.2.1]octane, β-D-galactopyranose deriv.,D-Galactosan,Galactosan,Levogalactosan,NSC 1376
IUPAC Name (1R,2R,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
Molecular Formula C6 H10 O5
12

Hydrocortisone (9Beta,11Beta)-Epoxide, TRC

CAS: 10072-97-6 Molecular Formula: C21 H28 O5 Molecular Weight (g/mol): 360.44 Synonym: Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)- (9CI),9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy- (6CI,7CI,8CI),9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.,9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione IUPAC Name: (1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one SMILES: C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO

CAS 10072-97-6
Molecular Weight (g/mol) 360.44
SMILES C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO
Synonym Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)- (9CI),9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy- (6CI,7CI,8CI),9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.,9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
IUPAC Name (1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
Molecular Formula C21 H28 O5
13

Cyrene, TRC

CAS: 53716-82-8 Molecular Formula: C6H8O3 Molecular Weight (g/mol): 128.13 Synonym: (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone IUPAC Name: (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one SMILES: O=C1CC[C@H]2CO[C@@H]1O2

CAS 53716-82-8
Molecular Weight (g/mol) 128.13
SMILES O=C1CC[C@H]2CO[C@@H]1O2
Synonym (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone
IUPAC Name (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one
Molecular Formula C6H8O3
14

(6Alpha,9Beta,11Beta,16Alpha)-9,11-Epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione, TRC

CAS: 68352-03-4 Molecular Formula: C24 H29 F O6 Molecular Weight (g/mol): 432.48 Synonym: Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-,(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione,9,11β-Epoxy-6α-fluoro-21-hydroxy-16α,17-(1-methylethylidenedioxy)-9β-pregna-1,4-diene-3,20-dione SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]46O[C@H]6C[C@]3(C)[C@@]2(O1)C(=O)CO

CAS 68352-03-4
Molecular Weight (g/mol) 432.48
SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]46O[C@H]6C[C@]3(C)[C@@]2(O1)C(=O)CO
Synonym Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-,(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione,9,11β-Epoxy-6α-fluoro-21-hydroxy-16α,17-(1-methylethylidenedioxy)-9β-pregna-1,4-diene-3,20-dione
Molecular Formula C24 H29 F O6
15

5alpha-Hydroxytriptolide, TRC

CAS: 583028-68-6 Molecular Formula: C20 H24 O7 Molecular Weight (g/mol): 376.4 Synonym: (3bR,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-3b,6-dihydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,(-)-5α-Hydroxytryptolide,(5R)-5-Hydroxytriptolide,LLDT 8,PG 701; SMILES: CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@]5(O)C[C@@H]7O[C@]47[C@@H]2O

CAS 583028-68-6
Molecular Weight (g/mol) 376.4
SMILES CC(C)[C@]12O[C@H]1[C@@H]3O[C@@]34[C@@]5(C)CCC6=C(COC6=O)[C@]5(O)C[C@@H]7O[C@]47[C@@H]2O
Synonym (3bR,4aS,5aS,6R,6aR,7aS,7bS,8aS,8bS)-3b,4,4a,6,6a,7a,7b,8b,9,10-Decahydro-3b,6-dihydroxy-8b-methyl-6a-(1-methylethyl)trisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-1(3H)-one,(-)-5α-Hydroxytryptolide,(5R)-5-Hydroxytriptolide,LLDT 8,PG 701;
Molecular Formula C20 H24 O7