Cholesterol 7alpha-hydroperoxide

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

Also Known As: Cholesterol 7-hydroperoxide|7-hydroperoxycholesterol|7alpha-hydroperoxycholesterol|Cholesterol 7alpha-hydroperoxide|Cholesterol 7-alpha-hydroperoxide|7-Hydroperoxycholest-5-en-3-ol|7-hydroperoxycholest-5-en-3beta-ol|KST-1A3521|3beta-Hydroxycholest-5-ene-7alpha-hydroperoxide|7alpha-Hydroperoxycholest-5-en-3beta-ol|(3|A,7|A)-7-hydroperoxycholest-5-en-3-ol|3-beta-Hydroxycholest-5-ene-7-alpha-hydroperoxide|7alpha-(Hydroperoxy)cholesta-5-ene-3beta-ol|3beta-Hydroxy-7alpha-hydroperoxycholest-5-ene|3beta-Hydroxycholest-5-en-7alpha-yl hydroperoxide|Cholest-5-en-3.beta.-ol, 7.alpha.-hydroperoxy-|(3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|Cholest-5-en-3-ol, 7-hydroperoxy-, (3-beta,7-alpha)-|Cholest-5-en-3-ol, 7-hydroperoxy-, (3.beta.,7.alpha.)-|(1R,3aS,3bS,4S,7S,9aR,9bS,11aR)-4-hydroperoxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,7S,8S,9S,10R,13R,14S,17R)-7-hydroperoxy-10,13-dimethyl-17-((2R)-6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol

Molecular Formula	C27H46O3
Molecular Weight	418.3447 g/mol
LogP	6.86
Topological Polar Surface Area	49.69 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	418.3447
Heavy Atoms	30
Complexity	642.0

Chemical Identifiers

CAS Number	2846-29-9
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)OO)C