(3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid

Modify Date: 2025-09-08 17:38:54

(3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid Structure
(3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid structure
 Common Name (3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
CAS Number 95719-52-1 Molecular Weight 478.36000
Density N/A Boiling Point N/A
Molecular Formula C21H18O13 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C21H18O13
Molecular Weight 478.36000
Exact Mass 478.07500
PSA 231.51000
LogP 0.09570
InChIKey PKRKPJWPNZPNCK-SUYBPPKGSA-N
SMILES O=C(O)C1=CC(O)C(O)C(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)C1

 Synonyms

3-O-Digalloylshikimic acid
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Chemsrc provides CAS#:95719-52-1 MSDS, density, melting point, boiling point, structure, etc. Its name is (3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid>> amp version: (3R,4R,5R)-5-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid

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