Portensterol

(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol

Also Known As: Portensterol|(22E)-Ergosta-5,8,22-triene-3beta,11-diol|Ergosta-5,8,22-triene-3,11-diol, (3beta,22E)-|(3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-diol|(1R,3aR,7S,9aS,11aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,4H,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-diol

Molecular Formula	C28H44O2
Molecular Weight	412.33414 g/mol
LogP	6.4457
Topological Polar Surface Area	40.46 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	4
Exact Mass	412.33414
Monoisotopic Mass	412.33414
Heavy Atoms	30
Complexity	758.60077

Chemical Identifiers

CAS Number	62005-66-7
SMILES	C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC(C3=C2CC=C4[C@@]3(CC[C@@H](C4)O)C)O)C