Ent-Estradiol

(8S,9R,13R,14R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Also Known As: ent-Estradiol|estradiol|1-Estradiol|Estradiol, (-)-|Ent estradiol|ent-E2|(-)-ESTRADIOL|ent-17beta-Estradiol|ENT-17.BETA.-ESTRADIOL|1-E2|J-855|(8alpha,9beta,13alpha,14beta,17alpha)-Estradiol|(8S,9R,13R,14R)-Estra-1(10),2,4-triene-3,17alpha-diol|(8alpha,9beta,13alpha,14beta)-Estra-1,3,5(10)-triene-3,17alpha-diol|8alpha,9beta,13alpha,14beta-Estra-1(10),2,4-triene-3,17alpha-diol|8alpha,9beta,13alpha,14beta-Estra-1,3,5(10)-triene-3,17alpha-diol|(8alpha,9beta,13alpha,14beta,17alpha)-Estra-1,3,5(10)-triene-3,17-diol|8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.-ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL|Estra-1,3,5(10)-triene-3,17-diol, (8alpha,9beta,13alpha,14beta,17alpha)-|(1R,3aR,3bS,9bR,11aR)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol|(8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.)-ESTRA-1,3,5(10)-TRIENE-3,17-DIOL|(8S,9R,13R,14R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol|ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, (8.ALPHA.,9.BETA.,13.ALPHA.,14.BETA.,17.ALPHA.)-

Molecular Formula	C18H24O2
Molecular Weight	272.17764 g/mol
LogP	4.0
Topological Polar Surface Area	40.5 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	272.17764
Monoisotopic Mass	272.17764
Heavy Atoms	20
Complexity	382.0

Chemical Identifiers

CAS Number	3736-22-9
SMILES	C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
InChIKey	VOXZDWNPVJITMN-QXDIGNSFSA-N