Obeticholic Acid Methyl Ester[951694-73-8]

Cat# TRC-O099130-500MG

Size : 500mg

Brand : Toronto Research Chemicals

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Product Overview

Product Code

TRC-O099130

CAS Number

951694-73-8

Product Format

Neat

Molecular Formula

C27 H46 O4

Molecular Weight

434.65

API Family

Obeticholic Acid

Product Type

Impurity

Documentation

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Product Information

Analyte Name

Obeticholic Acid Methyl Ester

CAS Number

951694-73-8

Molecular Formula

C27 H46 O4

Molecular Weight

434.65

Accurate Mass

434.3396

SMILES

CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChI=1S/C27H46O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h16-22,24-25,28,30H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21+,22+,24+,25-,26-,27-/m1/s1

IUPAC

methyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopentapmphenanthren-17-yl]pentanoate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Obeticholic Acid

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