4-Hydroxy Ethynyl Estradiol

About This Item

Molecular Formula	C₂₀H₂₄O₃
CAS Number	50394-90-6

FC-0561802

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Properties

Chemical Identifiers

IUPAC Name	(8R,9S,13S,14S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,4,17-triol
SMILES	CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4O)O
InChI Key	SYFHJXSYRPNSOI-DFJNYNKPSA-N
InChI	InChI=1S/C20H24O3/c1-3-20(23)11-9-16-14-4-5-15-12(6-7-17(21)18(15)22)13(14)8-10-19(16,20)2/h1,6-7,13-14,16,21-23H,4-5,8-11H2,2H3/t13-,14-,16+,19+,20?/m1/s1

Safety Information

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.