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Product Overview

Product Code

TRC-M286025

CAS Number

135053-62-2

Product Format

Neat

Molecular Formula

C25 H43 N O4

Molecular Weight

421.613

Product Categories

TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Methyl 3Beta-Amino-7Alpha,12Alpha-dihydroxy-5Beta-cholan-24-oate

CAS Number

135053-62-2

Molecular Formula

C25 H43 N O4

Molecular Weight

421.613

Accurate Mass

421.319

SMILES

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

InChI

InChI=1S/C25H43NO4/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,27-28H,5-13,26H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

IUPAC

methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-amino-7,12-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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Methyl 3β-Amino-7α,12α-dihydroxy-5β-cholan-24-oate

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