Equilenin acetate structure

Equilenin acetate

(13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) acetate

Also Known As: Equilenin acetate|Estra-1,3,5,7,9-pentaen-17-one, 3-(acetyloxy)-|Estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-, acetate|Estra-1,5,7,9-pentaen-17-one, 3-(acetyloxy)-|17-Oxoestra-1,3,5(10),6,8-pentaen-3-yl acetate|Estra-1,5,7,9-pentaen-17-one, 3-hydroxy-, acetate|17-Oxoestra-1,3,5(10),6,8-pentaen-3-yl acetate #|(13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) acetate

CAS: 6030-91-7
Molecular Formula C20H20O3
Molecular Weight 308.14124 g/mol
LogP 3.6
Topological Polar Surface Area 43.4 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 308.14124
Monoisotopic Mass 308.14124
Heavy Atoms 23
Complexity 513.0

Chemical Identifiers

CAS Number 6030-91-7
SMILES CC(=O)OC1=CC2=C(C=C1)C3=C(C=C2)C4CCC(=O)C4(CC3)C
InChIKey BXYLRGRVWPHELN-UHFFFAOYSA-N

Product Overview

Equilenin acetate (CAS 6030-91-7), with molecular formula C20H20O3 and molecular weight 308.14124 g/mol. IUPAC: (13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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