CAS 819802-34-1 3-Demethyl Thiocolchicine 3-O-Beta-D-Glucuronide

CAT	APS819802341
CAS	819802-34-1
Structure
Synonyms	3-Desmethylthiocolchicine-3-O-D-glucuronide, 3-(O-Demethyl)thiocolchicine 3-O-β-D-Glucuronide,β-D-Glucopyranosiduronic acid, (7S)-7-(acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl, 3-Demethyl thiocolchicine 3-O-β-D-glucuronide, (7S)-7-(Acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl β-D-glucopyranosiduronic acid
IUPAC Name	(2S,3S,4S,5R,6S)-6-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight	577.60
Molecular Formula	C27H31NO11S
Canonical SMILES	COc1c(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc3CC[C@H](NC(=O)C)C4=CC(=O)C(=CC=C4c3c1OC)SC
InChI	InChI=1S/C27H31NO11S/c1-11(29)28-15-7-5-12-9-17(38-27-22(33)20(31)21(32)25(39-27)26(34)35)23(36-2)24(37-3)19(12)13-6-8-18(40-4)16(30)10-14(13)15/h6,8-10,15,20-22,25,27,31-33H,5,7H2,1-4H3,(H,28,29)(H,34,35)/t15-,20-,21-,22+,25-,27+/m0/s1

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