5alpha-Pregnan-3beta,6alpha,20alpha-triol-6-O-D-glucuronide

Analyte Name

5alpha-Pregnan-3beta,6alpha,20alpha-triol-6-O-D-glucuronide

Molecular Formula

C27 H44 O9

Molecular Weight

512.633

Accurate Mass

512.299

SMILES

C[C@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C27H44O9/c1-12(28)15-4-5-16-14-11-19(35-25-22(32)20(30)21(31)23(36-25)24(33)34)18-10-13(29)6-8-27(18,3)17(14)7-9-26(15,16)2/h12-23,25,28-32H,4-11H2,1-3H3,(H,33,34)/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21-,22+,23-,25?,26+,27+/m0/s1

IUPAC

(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(3S,5S,6S,8S,9S,10R,13S,14S,17S)-3-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat