(2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Modify Date: 2025-08-25 18:17:58

(2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Structure
(2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure
Common Name (2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Number 913079-71-7 Molecular Weight 561.53500
Density N/A Boiling Point N/A
Molecular Formula C27H31NO12 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C27H31NO12
Molecular Weight 561.53500
Exact Mass 561.18500
PSA 193.80000
LogP 0.97430
InChIKey KQDLHFSBXJJZRS-BVLXLYFTSA-N
SMILES COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2

 Synonyms

3-Demethyl Colchicine 3-O-|A-D-Glucuronide
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