Cloxotesterone structure

Cloxotesterone

(10R,13S,17S)-10,13-dimethyl-17-(2,2,2-trichloro-1-hydroxyethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Also Known As: Cloxotestosterone|CLOXOTESTERONE|KST-1A6412|(8xi,9xi,14xi,17|A)-17-(2,2,2-trichloro-1-hydroxyethoxy)androst-4-en-3-one|(10R,13S,17S)-10,13-dimethyl-17-(2,2,2-trichloro-1-hydroxyethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

CAS: 6017-89-6
Molecular Formula C21H29Cl3O3
Molecular Weight 434.11823 g/mol
LogP 5.2
Topological Polar Surface Area 46.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 434.11823
Monoisotopic Mass 434.11823
Heavy Atoms 27
Complexity 658.0

Chemical Identifiers

CAS Number 6017-89-6
SMILES C[C@]12CCC3C(C1CC[C@@H]2OC(C(Cl)(Cl)Cl)O)CCC4=CC(=O)CC[C@]34C
InChIKey DNADMXUXHNLBKR-CDNTZLLUSA-N

Product Overview

Cloxotesterone (CAS 6017-89-6), with molecular formula C21H29Cl3O3 and molecular weight 434.11823 g/mol. IUPAC: (10R,13S,17S)-10,13-dimethyl-17-(2,2,2-trichloro-1-hydroxyethoxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.

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