3-Hydroxyandrost-4-en-17-one structure

3-Hydroxyandrost-4-en-17-one

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

Also Known As: 3-hydroxyandrost-4-en-17-one|3-Hydroxy-4-androsten-17-one|3-Hydroxyandrosta-4-ene-17-one|3alpha-Hydroxy-4-androsten-17-one|Androst-4-en-17-one,3-hydroxy-, (3a)-|J1.907.608C|(8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one|(3aS,3bR,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one

CAS: 2791-99-3
Molecular Formula C19H28O2
Molecular Weight 288.20892 g/mol
LogP 2.8
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 288.20892
Monoisotopic Mass 288.20892
Heavy Atoms 21
Complexity 508.0

Chemical Identifiers

CAS Number 2791-99-3
SMILES C[C@]12CCC(C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O
InChIKey VMYTXBKVYDESSJ-HQEMIIEJSA-N

Product Overview

3-Hydroxyandrost-4-en-17-one (CAS 2791-99-3), with molecular formula C19H28O2 and molecular weight 288.20892 g/mol. IUPAC: (8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one.

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