Estrone

CAS	53-16-7
Structure
Synonyms	3-Hydroxy-17-ketooestra-1,3,5-triene
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
Molecular Weight	270.37
Molecular Formula	C18H22O2
Canonical SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
InChI	InChI=1S/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-,15-,16+,18+/m1/s1
InChI Key	DNXHEGUUPJUMQT-CBZIJGRNSA-N
Boiling Point	354 °C
Melting Point	258-260 °C (lit.)
Flash Point	165 ° (C=1, Dioxane)
Purity	98%
Density	1.23 g/ml
pKa	10.77±0.02
Solubility in Water	Insoluble
Appearance	Powder