Cholesteryl acetate dibromide

CAS Registry Number®

514-50-1

CAS Name

Cholesteryl acetate dibromide

Molecular Formula

C29H48Br2O2

Molecular Mass

588.50

Cite this Page

Cholesteryl acetate dibromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=514-50-1 (retrieved 2024-11-22) (CAS RN: 514-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112-113 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48Br2O2/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(31)17-21(33-20(4)32)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1

InChIKey

InChIKey=ISLUIHYFJMYECW-BSMCXZHXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(C[C@@H](Br)[C@@]1(Br)C[C@@H](OC(C)=O)CC2)[H])[H]

Canonical SMILES

O=C(OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(Br)C2(Br)C1)C(C)CCCC(C)C)C

Other Names for this Substance

  • Cholestan-3-ol, 5,6-dibromo-, 3-acetate, (3β,5α,6β)-
  • 5α-Cholestan-3β-ol, 5,6β-dibromo-, acetate
  • Cholestan-3-ol, 5,6-dibromo-, acetate, (3β,5α,6β)-
  • Acebrochol
  • 5,6β-Dibromo-5α-cholestan-3β-ol acetate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration