22-Ketocholesterol

(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one

Also Known As: 22-Oxocholesterol|22-Ketocholesterol|22-KetoC|5-cholesten-3beta-ol-22-one|3-Hydroxycholest-5-en-22-one|3beta-hydroxycholest-5-en-22-one|22-oxo-cholest-5-en-3beta-ol|5-Cholesten-3-beta-ol-22-one|3-Hydroxycholest-5-en-22-one #|3beta-hydroxy-5-cholestene-22-one|(3beta)-3-hydroxycholest-5-en-22-one|Cholest-5-en-22-one,3-hydroxy-, (3b)-|5-CHOLESTEN-3.BETA.-OL-22-ONE|3-(N-acetyl-L-cystein-S-yl) acetaminophen|Cholest-5-en-22-one, 3-hydroxy-, (3beta)-|3.BETA.-HYDROXYCHOLEST-5-EN-22-ONE|(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one|CHOLEST-5-EN-22-ONE, 3-HYDROXY-, (3.BETA.)-|(2S)-2-[(1R,3aS,3bS,7S,9aR,9bS,11aS)-7-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-methylheptan-3-one

Molecular Formula	C27H44O2
Molecular Weight	400.33414 g/mol
LogP	6.57
Topological Polar Surface Area	37.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	400.33414
Heavy Atoms	29
Complexity	663.4

Chemical Identifiers

CAS Number	19243-30-2
SMILES	C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)CCC(C)C