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Structure

Ethynyl estradiol 3-acetate

CAS
5779-47-5
Catalog Number
ACM5779475
Category
Other Products
Molecular Weight
338.44
Molecular Formula
C22H26O3

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Specification

Synonyms
(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol 3-Acetate; 19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol 3-Acetate;
IUPAC Name
[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
Canonical SMILES
CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4(C#C)O)C
InChI Key
WHONTIANOSNSAH-AANPDWTMSA-N
Boiling Point
468.3ºC at 760 mmHg
Flash Point
186.8ºC
Density
1.19g/cm³
Appearance
White Solid
Exact Mass
338.18800
H-Bond Acceptor
3
H-Bond Donor
1
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