21-Chloropregnenolone structure

21-Chloropregnenolone

2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Also Known As: 21-Chloropregnenolone|21-Cpg|21-Chloro-3-hydroxypregn-5-en-20-one|Pregn-5-en-20-one, 21-chloro-3-hydroxy-, (3beta)-|2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

CAS: 30459-98-4
Molecular Formula C21H31ClO2
Molecular Weight 350.20126 g/mol
LogP 4.8
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 2
Exact Mass 350.20126
Monoisotopic Mass 350.20126
Heavy Atoms 24
Complexity 570.0

Chemical Identifiers

CAS Number 30459-98-4
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CCl)CC=C4[C@@]3(CCC(C4)O)C
InChIKey PKGVHUPHLJLSIM-JIUSCHCVSA-N

Product Overview

21-Chloropregnenolone (CAS 30459-98-4), with molecular formula C21H31ClO2 and molecular weight 350.20126 g/mol. IUPAC: 2-chloro-1-[(8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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