3α,12α-Diacetoxy-6α-brom-7-oxo-5β-cholan-24-saeure-methylester

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CAS
10452-63-8
Size
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Purity
96%
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Catalog Number

ACM10452638

Product Name

3α,12α-Diacetoxy-6α-brom-7-oxo-5β-cholan-24-saeure-methylester

Structure

CAS

10452-63-8

Category

Heterocyclic Organic Compound

Synonyms

3ALPHA,12ALPHA-DIHYDROXY-5BETA-PREGNAN-20-ONE 3,12-DIACETATE; 5B-pregnane-3A,12A-diol-20-one*diacetate; (10S)-3t,12t-Diacetoxy-10r,13c-dimethyl-17c-((R)-1-methyl-4,4-diphenyl-buten-(3)-yl)-(5cH,8cH,9tH,14tH)-hexadecahydro-1H-cyclopenta[a]phenanthren; 5BET

IUPAC Name

methyl(4R)-4-[(3R,5R,6R,8R,9S,10R,12S,13R,14S,17R)-3,12-diacetyloxy-6-bromo-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Molecular Weight

583.56

Molecular Formula

C₂₉H₄₃BrO₇

Canonical SMILES

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(=O)C(C4C3(CCC(C4)OC(=O)C)C)Br)OC(=O)C)C

InChI Key

MAIKGBHVJKDTPG-UZSMRUEJSA-N

Density

1.28

Exact Mass

582.21900