Nombre del analito

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

Fórmula molecular

C27 H44 O9

Peso molecular

512.633

Masa exacta

512.299

SMILES

C[C@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

InChI

InChI=1S/C27H44O9/c1-12(35-25-22(32)20(30)21(31)23(36-25)24(33)34)15-4-5-16-14-11-19(29)18-10-13(28)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)-6-[(1S)-1-[(3S,5S,6S,8S,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat