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Product Overview

Product Code

TRC-M298235

CAS Number

3245-38-3

Product Format

Neat

Molecular Formula

C25 H42 O4

Molecular Weight

406.60

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Methyl Desoxycholate

CAS Number

3245-38-3

Molecular Formula

C25 H42 O4

Molecular Weight

406.60

Accurate Mass

406.3083

SMILES

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

InChI

InChI=1S/C25H42O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1

IUPAC

methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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