6beta-Hydroperoxycholest-4-en-3-one

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

Also Known As: 6beta-hydroperoxycholest-4-en-3-one|6-Hydroperoxy-4-cholesten-3-one|6-hydroperoxycholest-4-en-3-one|KST-1A2856|Cholest-4-en-3-one, 6-beta-hydroperoxy-|(6|A)-6-hydroperoxycholest-4-en-3-one|6beta-Hydroperoxy-cholest-4-en-3-one|6beta-(Hydroperoxy)cholest-4-en-3-one|6-beta-Hydroperoxy-delta(sup 4)-cholesten-3-one|6.BETA.-HYDROPEROXYCHOLEST-4-EN-3-ONE|A-Hydroperoxy-|currency4-cholesten-3-on|CHOLEST-4-ENE-3-ONE 6.BETA.-HYDROPEROXIDE|CHOLEST-4-ENE-3-ONE 6BETA-HYDROPEROXIDE|HYDROPEROXIDE, 3-OXOCHOLEST-4-EN-6.BETA.-YL|HYDROPEROXIDE, 3-OXOCHOLEST-4-EN-6BETA-YL|CHOLEST-4-EN-3-ONE, 6-HYDROPEROXY-, (6.BETA.)-|CHOLEST-4-EN-3-ONE,6-HYDROPEROXY-, (6B)-|CHOLEST-4-EN-3-ONE, 6-HYDROPEROXY-, (6BETA)-|(1R,3aS,3bS,5R,9aR,9bS,11aR)-5-hydroperoxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|(6R,8S,9S,10R,13R,14S,17R)-6-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Molecular Formula	C27H44O3
Molecular Weight	416.32904 g/mol
LogP	7.07
Topological Polar Surface Area	46.53 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	416.32904
Heavy Atoms	30
Complexity	681.6

Chemical Identifiers

CAS Number	2207-76-3
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)OO)C