Acebrochol

CAS

514-50-1

Catalog Number

ACM514501

Category

Other Products

Molecular Weight

588.504

Molecular Formula

C₂₉H₄₈Br₂O₂

MSDS COA Spec Sheet

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Specification

Synonyms

Acebrochol, Acebrocholum, Acebrocol, UNII-7XZB016MY5, CID170366, 5alpha,6beta-Dibromdihydrocholesterinacetat, 5,6beta-Dibrom-5alpha-cholestan-3beta-ylacetat, 5,6beta-Dibromo-5alpha-cholestan-3beta-ol acetate, 514-50-1

IUPAC Name

[(4S,6R,8S,9S,10R,13R,14S,17R)-4,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)OC(=O)C)C)Br)Br)C

InChI Key

NJTAPFKGQYWFQM-WNQILTAPSA-N

Boiling Point

545.8ºC at 760mmHg

Flash Point

283.9ºC

Density

1.27g/cm³

Exact Mass

586.20200