estrone

Estrone An aromatized C18 steroid with a 3-hydroxyl group and a 17-ketone, a major mammalian estrogen. It is converted from ANDROSTENEDIONE directly, or from TESTOSTERONE via ESTRADIOL. In humans, it is produced primarily by the cyclic ovaries, PLACENTA, and the ADIPOSE TISSUE of men and postmenopausal women.

Molecular Formula: C₁₈H₂₂O₂

InChI: InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15u,16+,18u/m1/s1

InChIKey: InChIKey=DNXHEGUUPJUMQT-HZEVEPDUBY
SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

Names:
    estrone
    (9S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Registries:
    PubChem CID 5702052
    PubChem ID 8149336