17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether

About This Item

Molecular Formula	C₂₁H₂₆O₂
CAS Number	72-33-3

FC-0935929

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Properties

Chemical Identifiers

IUPAC Name	(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SMILES	CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC
InChI Key	IMSSROKUHAOUJS-MJCUULBUSA-N
InChI	InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1

Physical Properties

Boiling Point	442.3±45.0 °C at 760 mmHg
Melting Point	302.9
Flash Point	190.8±23.0 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

190.8±23.0 °C

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.