16-Epiestriol

About This Item

Molecular Formula	C₁₈H₂₄O₃
CAS Number	547-81-9
Appearance	Solid

FC-0210850

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Properties

Chemical Identifiers

IUPAC Name	(8R,9S,13S,14S,16S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
SMILES	CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O
InChI Key	PROQIPRRNZUXQM-ZMSHIADSSA-N
InChI	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,17+,18+/m1/s1

Physical Properties

Boiling Point	469ºC at 760 mmHg
Melting Point	289-291ºC
Flash Point	220.8ºC
Density	1.255g/cm3

Safety Information

Hazard Class

Danger

Flash Point

220.8ºC

Control Level

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.