3-Aminodesoxyequilenin structure

3-Aminodesoxyequilenin

(13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one

Also Known As: 3-Aminodesoxyequilenin|D-3-Aminodesoxyequilenin|Estra-1,3,5,7,9-pentaen-17-one, 3-amino-|3-Aminoestra-1(10),2,4,6,8-pentaen-17-one|(13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one|(13S)-3-Amino-13-methyl-(13r,14t)-11,12,13,14,15,16-hexahydro-cyclopenta[a]phenanthren-17-on|(13S)-3-amino-13-methyl-(13r,14t)-11,12,13,14,15,16-hexahydro-cyclopenta[a]phenanthren-17-one

CAS: 5409-94-9
Molecular Formula C18H19NO
Molecular Weight 265.14667 g/mol
LogP 3.1
Topological Polar Surface Area 43.1 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 265.14667
Monoisotopic Mass 265.14667
Heavy Atoms 20
Complexity 420.0

Chemical Identifiers

CAS Number 5409-94-9
SMILES C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)N
InChIKey XORFPBHYHGEHFP-WMZOPIPTSA-N

Product Overview

3-Aminodesoxyequilenin (CAS 5409-94-9), with molecular formula C18H19NO and molecular weight 265.14667 g/mol. IUPAC: (13S,14S)-3-amino-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one.

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