Estrone
From DrugPedia: A Wikipedia for Drug discovery
Revision as of 00:00, 15 January 2001 by Special:Contributions/ (Talk)
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Description
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.
General Properties
*Molecular Weight
270.37
*Molecular Formula
C18H22O2
*IUPAC NAME
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
*Canonical Smiles
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
*Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
PhysioChemical Properties
*Melting Point
260.2(EXP)
*LogP
3.13(EXP)
*Water Solubility
30(EXP) at 25C
