Analyte Name

3-Demethyl Colchicine 3-O-beta-D-Glucuronide

CAS Number

913079-71-7

Molecular Formula

C27 H31 N O12

Molecular Weight

561.534

Accurate Mass

561.185

SMILES

COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c(OC)c(OC)c23)NC(=O)C

InChI

InChI=1S/C27H31NO12/c1-11(29)28-15-7-5-12-9-18(39-27-22(33)20(31)21(32)25(40-27)26(34)35)23(37-3)24(38-4)19(12)13-6-8-17(36-2)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

IUPAC

(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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat