17-Allylestra-1,3,5(10)-triene-3,17beta-diol

(8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

Also Known As: 17alpha-allylestradiol|17-Allylestra-1,3,5(10)-triene-3,17beta-diol|17-(2-Propenyl)-17beta-estradiol|17-Allylestra-1(10),2,4-triene-3,17beta-diol|(8R,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol|(8S,9S,13S,14S,17R)-13-methyl-17-prop-2-enyl-7,8,9,11,12,14,|(1R,3aS,3bR,9bS,11aS)-11a-methyl-1-(prop-2-en-1-yl)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

Molecular Formula	C21H28O2
Molecular Weight	312.20892 g/mol
LogP	4.9
Topological Polar Surface Area	40.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	312.20892
Monoisotopic Mass	312.20892
Heavy Atoms	23
Complexity	474.0

Chemical Identifiers

CAS Number	971-82-4
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC=C)O)CCC4=C3C=CC(=C4)O
InChIKey	XEKBJRSLNPZRAN-MJCUULBUSA-N