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3-METHOXYESTRA-1,3,5,8,14-PENTAEN-17-ONE
SpectraBase Compound ID LG357ZND4QJ
InChI InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-7,11H,3,5,8-10H2,1-2H3
InChIKey GYDAWQFRJMIWHJ-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4YNPOdPoo8
Name 3-Methoxy-13-methyl-7,11,12,16-tetrahydro-6H-cyclopenta[a]phenanthren-17-one
Alternate Name(s) 3-Methoxyestra-1(10),2,4,8,14-pentaen-17-one 3-Methoxyestra-1,3,5(10),8,14-pentaen-17-one 3-Methoxyestra-1,3,5(10),8,14-pentaen-17-one (+,-)-
CAS Registry Number 966-47-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2
InChI InChI=1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6-7,11H,3,5,8-10H2,1-2H3
InChIKey GYDAWQFRJMIWHJ-UHFFFAOYSA-N
Molecular Weight 280.367 g/mol
SMILES CC12C(=CCC2=O)C2=C(c3c(cc(OC)cc3)CC2)CC1
SPLASH splash10-0pba-8490000000-468d330fc037af4e8c07
Source of Spectrum J-49-182-0
Wiley ID 1284391