Calysterol

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

Also Known As: Calysterol|23,28-cyclostigmasta-5,23(24)-dien-3beta-ol|23,28-Cyclostigmasta-5,23-dien-3-ol|(24~1~R)-23,24~1~-Cyclostigmasta-5,23-dien-3beta-ol|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl]propan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol|(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-1-[(3R)-3-methyl-2-(propan-2-yl)cycloprop-1-en-1-yl]propan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol|(20R)-20-Methyl-21-[(R)-3-methyl-2-(1-methylethyl)-1-cyclopropen-1-yl]pregn-5-en-3beta-ol|(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((2R)-1-((3R)-3-methyl-2-propan-2-ylcyclopropen-1-yl)propan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-ol

Molecular Formula	C29H46O
Molecular Weight	410.35486 g/mol
LogP	7.5548
Topological Polar Surface Area	20.23 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	1
Rotatable Bonds	4
Exact Mass	410.35486
Monoisotopic Mass	410.35486
Heavy Atoms	30
Complexity	758.32526

Chemical Identifiers

CAS Number	57331-04-1
SMILES	C[C@@H]1C(=C1C(C)C)C[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C