7-Ketocholesterol

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

Also Known As: 7-Ketocholesterol|7-Oxocholesterol|7-oxo-cholesterol|Cholesterol, 7-oxo-|7-keto-cholesterol|7-kChol|7-Keto Cholesterol|7-oxo Cholesterol|7-KetoC|3beta-Hydroxycholest-5-en-7-one|5-Cholesten-3beta-ol-7-one|Cholesterol Impurity 23|3-beta-Hydroxycholest-5-en-7-one|5-cholesten-3 beta-ol-7-one|7-Keto Cholesterol (~98%)|5-Cholesten-3|A-ol-7-one|cholest-3,5-dien-7-one|3b-hydroxycholest-5-en-7-one|7-oxo-cholest-5-en-3beta-ol|3beta-hydroxy-5-cholestene-7-one|3 beta-hydroxycholest-5-en-7-one|5-Cholesten-3?-ol-7-one|(3-beta)-3-Hydroxycholest-5-en-7-one|SC 4722|5-Cholesten-3-beta-ol-7-one|(3beta)-3-hydroxycholest-5-en-7-one|3?-hydroxy-5-cholestene-7-one|5-Cholesten-3.beta.-ol-7-one|Cholest-5-en-7-one, 3-beta-hydroxy-|ERK5-6I05|A-Hydroxy-5-cholesten-7-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	566-28-9
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C