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Equilenin acetate

HCID 313013
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Basic information

CAS
6030-91-7
Standard SMILES
CC(=O)Oc1ccc2c3c(ccc2c1)C1CCC(=O)C1(C)CC3
InChIKey
BXYLRGRVWPHELN-UHFFFAOYSA-N
Molecular formula
C20H20O3
Average molar mass
308.377 g/mol
Monoisotopic mass
308.1412445

Names & identifiers

Preferred name
Equilenin acetate
IUPAC
17-Oxoestra-1,3,5(10),6,8-pentaen-3-yl acetate
English name
3-Acetoxyestra-1,3,5,7,9-pentene-17-one
Molecular formula
C20H20O3
Molecular weight
308.37

Names & synonyms

Equilenin acetate3-Acetoxyestra-1,3,5,7,9-pentene-17-one3-(Acetyloxy)estra-1,3,5,7,9-penten-17-oneEstra-1,3,5,7,9-pentaen-17-one, 3-(acetyloxy)-

Database identifiers

CAS
6030-91-7
PubChem CID
313013
DTXSID
DTXSID20310355

Properties

Physicochemical properties

Melting point
156 · 156-158 °C
Boiling point
482.7 · 482.7±45.0 °C(Predicted)
Density
1.216 · 1.216±0.06 g/cm3(Predicted)

Related reactions

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Compound notes

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