Nombre del analito

(3beta)-Allopregnanolone 3-beta-D-Glucuronide

Número CAS

31300-87-5

Fórmula molecular

C27 H42 O8

Peso molecular

494.618

Masa exacta

494.288

SMILES

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

InChI

InChI=1S/C27H42O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h14-23,25,29-31H,4-12H2,1-3H3,(H,32,33)/t14-,15-,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1

IUPAC

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Tipo de producto

API

Formato del producto

Neat