Cholesteryl acetate dibromide
CAS Registry Number®
514-50-1
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CAS Name
Cholesteryl acetate dibromideMolecular Formula
C29H48Br2O2Molecular Mass
588.50Cite 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 ) (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
