For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-Chloro-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

View entire compound with spectra: 4 NMR, and 5 MS (GC)

3-Chloro-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID CVLqvTzS3CD
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
InChIKey OTVRYZXVVMZHHW-UHFFFAOYSA-N
Mol Weight 405.1 g/mol
Molecular Formula C27H45Cl
Exact Mass 404.320979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EWC5KVrXehr
Name 3-Chloro-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
Alternate Name(s) 3-Chlorocholest-5-ene 3-Chloro-17-(1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16 3-Chloro-5-cholestene 3-Chloranyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 3-Chloro-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 3-Chloro-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 3-Chlorocholestene 5-Cholesten-3.beta.-chloride Cholest-5-ene, 3-chloro-, (3.beta.)- Cholest-5-ene, 3-chloro-, (3beta)- Cholest-5-ene, 3.beta.-chloro- Cholesterol chloride Cholesteryl chloride AI3-24122 EINECS 213-004-4 NSC 2084
CAS Registry Number 96345-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45Cl
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
InChIKey OTVRYZXVVMZHHW-UHFFFAOYSA-N
Molecular Weight 405.110 g/mol
SMILES C1(Cl)CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
SPLASH splash10-0k97-7951200000-0cbb9a189090af1c7a52
Wiley ID 1475081