Ent-Estradiol

ent-Estradiol (ent-E2), or 1-estradiol (1-E2), is an estrogen and the 1-enantiomorph of estradiol.^[1][2][3] It is a so-called "short-acting" or "impeded" estrogen, similarly to estriol, 17α-estradiol, and dimethylstilbestrol.^[1][2][3]

Ent-Estradiol

Clinical data
Other names	ent-E2; 1-Estradiol; 1-E2
Drug class	Estrogen
Identifiers
IUPAC name (8S,9R,13R,14R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
CAS Number	3736-22-9 Y
PubChem CID	667515
UNII	VW299DJ6U7
CompTox Dashboard (EPA)	DTXSID60912332
Chemical and physical data
Formula	C18H24O2
Molar mass	272.388 g·mol−1
3D model (JSmol)	Interactive image
SMILES C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2O)CCC4=C3C=CC(=C4)O
InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m0/s1 Key:VOXZDWNPVJITMN-QXDIGNSFSA-N