SpectraBase Compound ID | CVLqvTzS3CD |
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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 |
SpectraBase Spectrum ID | 2KYMqFfTPs4 |
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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 |
CAS Registry Number | 910-31-6 |
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 |
Source of Spectrum | CM-1999-8130-0 |
Synonyms | 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 |
Wiley ID | 470484 |