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13-epi-10-Deacetyl Baccatin III, TRC

Product Code. 30355858
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5 mg
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Product Code. 30355858 Supplier Toronto Research Chemicals Supplier No. TRCD1982655MG

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Specifications

Chemical Name or Material 13-epi-10-Deacetyl Baccatin III
CAS 172018-16-5
Molecular Formula C29H36O10
Quantity 5 mg
Synonym [2aR-(2aα,4β,4aβ,6β,9β,11α,12α,12aα,12bα)]-12b-(Acetyloxy)-12-(benzoyloxy)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 13-epi-10-DAB, (-)-10-Deacetyl-13-epibaccatin III, 13-Epi-10-deacetylbaccatin III
InChI Formula InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18+,19-,21-,22+,24+,27-,28+,29-/m1/s1
SMILES CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,12R,15R)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Weight (g/mol) 544.59
Formula Weight 544.2308
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