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1,3-Dicaffeoylquinic Acid, TRC

Product Code. 30007798
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Product Code. 30007798 Supplier Toronto Research Chemicals Supplier No. TRCD4297002.5MG

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

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Chemical Identifiers

CAS 19870-46-3
Molecular Formula C25 H24 O12
Molecular Weight (g/mol) 516.45
Synonym Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-, (1S,3R,4R,5R)-, Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-4,5-dihydroxy-1,3-cyclohexylene ester (8CI), Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, (1S,3R,4R,5R)- (9CI), Cyclohexanecarboxylic acid, 1,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, [1S-(1α,3β,4α,5α)]-, (1S,3R,4R,5R)-1,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxycyclohexanecarboxylic acid, 1,3-Dicaffeoylquinic acid, 1,3-O-Dicaffeoylquinic acid, 1,5-Dicaffeoylquinic acid
IUPAC Name (1S,3R,4R,5R)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid
SMILES O[C@@H]1C[C@@](C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)(OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O

Specifications

Quantity 2.5 mg
InChI Formula InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
Formula Weight 516.1268
Chemical Name or Material 1,3-Dicaffeoylquinic acid
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