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Product Overview

Product Code

TRC-A547110

CAS Number

31300-86-4

Product Format

Neat

Molecular Formula

C27H42O8

Molecular Weight

494.62

API Family

Progesterone

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity, Metabolite

Drug Type

Steroids / Hormones

Documentation

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Product Information

Chemical Data

Analyte Name

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

CAS Number

31300-86-4

Molecular Formula

C27H42O8

Molecular Weight

494.62

Accurate Mass

494.288

SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C

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-[[(3R,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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Progesterone

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