Androst-5-en-16-one, 3beta-methoxy- structure

Androst-5-en-16-one, 3beta-methoxy-

(3S,8S,9S,10R,13R,14S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

Also Known As: androst-5-en-16-one, 3|A-methoxy-|Androst-5-en-16-one, 3.beta.-methoxy-|Androst-5-en-16-one, 3beta-methoxy-|(3S,8S,9S,10R,13R,14S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one

CAS: 6549-68-4
Molecular Formula C20H30O2
Molecular Weight 302.22458 g/mol
LogP 3.7
Topological Polar Surface Area 26.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
Rotatable Bonds 1
Exact Mass 302.22458
Monoisotopic Mass 302.22458
Heavy Atoms 22
Complexity 522.0

Chemical Identifiers

CAS Number 6549-68-4
SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)C2)CC=C4[C@@]3(CC[C@@H](C4)OC)C
InChIKey YWQFPAUGLVZHQW-APNJTCTJSA-N

Product Overview

Androst-5-en-16-one, 3beta-methoxy- (CAS 6549-68-4), with molecular formula C20H30O2 and molecular weight 302.22458 g/mol. IUPAC: (3S,8S,9S,10R,13R,14S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one.

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