Analyte Name

5beta-Androsterone beta-D-Glucuronide Triacetate Methyl Ester

CAS Number

21238-41-5

Molecular Formula

C32 H46 O11

Molecular Weight

606.701

Accurate Mass

606.304

SMILES

COC(=O)[C@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@@]5(C)[C@H]4CCC5=O)C2)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C32H46O11/c1-16(33)39-25-26(40-17(2)34)28(41-18(3)35)30(43-27(25)29(37)38-6)42-20-11-13-31(4)19(15-20)7-8-21-22-9-10-24(36)32(22,5)14-12-23(21)31/h19-23,25-28,30H,7-15H2,1-6H3/t19-,20-,21+,22+,23+,25+,26+,27+,28-,30-,31+,32+/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(3R,5R,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat