Lumisterol3

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

Also Known As: lumisterol 3|Lumisterol3|Lumisterol 3 (>90%)|Dehydrocholesterol|Cholecalciferol EP Impurity C|Cholecalciferol Impurity C|9beta,10alpha-Cholesta-5,7-dien-3beta-ol|9b,10a-cholesta-5,7-diene-3bol|EINECS 226-025-9|9b,10a-Cholesta-5,7-dien-3b-ol|(3b,9b,10a)-Cholesta-5,7-dien-3-ol|A,10|A-Cholesta-5,7-dien-3|A-ol|(9beta,10alpha)-Cholesta-5,7-dien-3beta-ol|?,10|cent-Cholesta-5,7-dien-3|?-ol|(3|A,9|A,10|A)-Cholesta-5,7-dien-3-ol|(3S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aR,7S,9aS,9bR,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(3S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(3S,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol|226-025-9

Molecular Formula	C27H44O
Molecular Weight	384.3392 g/mol
LogP	7.31
Topological Polar Surface Area	20.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	5
Exact Mass	384.3392
Heavy Atoms	28
Complexity	642.6

Chemical Identifiers

CAS Number	5226-01-7
SMILES	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C