CAS Registry Number®
910-31-6
CAS Name
Cholesteryl chloride
Molecular Formula
C27H45Cl
Molecular Mass
405.10
Compound Properties
-
Melting Point (1)
103.4-104.5 °C
-
Density (2)
1.040 g/cm³
Source(s)
- (1) Hogness, T. R.; Journal of Biological Chemistry, (1937), 120, 239-56, CAplus
- (2) Ohrt, Jean M.; Acta Crystallographica, (1965), 19(2), 280, CAplus
Other Names and Identifiers
InChI
InChI=1S/C27H45Cl/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
InChIKey=OTVRYZXVVMZHHW-DPAQBDIFSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](Cl)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]
Canonical SMILES
ClC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
Other Names for this Substance
- Cholest-5-ene, 3-chloro-, (3β)-
- Cholest-5-ene, 3β-chloro-
- (3β)-3-Chlorocholest-5-ene
- 3-Chlorocholestene
- Cholesteryl chloride
- 3β-Chlorocholest-5-ene
- 3β-Cholesteryl chloride
- Cholesterol chloride
- NSC 2084
