3-Chlorocholest-5-ene
CAS Registry Number®
96345-96-9
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CAS Name
3-Chlorocholest-5-eneMolecular Formula
C27H45ClMolecular Mass
405.10Cite this Page
3-Chlorocholest-5-ene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=96345-96-9 (retrieved ) (CAS RN: 96345-96-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).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-FNOPAARDSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)CC(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-
- 3-Chlorocholest-5-ene