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3-Methoxy-14-hydroxyestra-1(10),2,4,8-tetraen-17-one
SpectraBase Compound ID AnVnSbTHwwO
InChI InChI=1S/C19H22O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,21H,3,6-10H2,1-2H3/t18-,19+/m1/s1
InChIKey HAKMBFDRAGSGNH-MOPGFXCFSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Zxovw7H907
Name 3-Methoxy-14-hydroxyestra-1(10),2,4,8-tetraen-17-one
Alternate Name(s) (14beta)-14-hydroxy-3-methoxyestra-1(10),2,4,8-tetraen-17-one (13S,14S)-3-methoxy-13-methyl-14-oxidanyl-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one
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Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-18-9-7-15-14-5-4-13(22-2)11-12(14)3-6-16(15)19(18,21)10-8-17(18)20/h4-5,11,21H,3,6-10H2,1-2H3/t18-,19+/m1/s1
InChIKey HAKMBFDRAGSGNH-MOPGFXCFSA-N
Molecular Weight 298.382 g/mol
SMILES O[C@]12C3=C(c4ccc(cc4CC3)OC)CC[C@@]2(C(=O)CC1)C
SPLASH splash10-0uyi-0290000000-fd385ca86e9ade8f67dc
Source of Spectrum QC-9-2698-14
Wiley ID 870638