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7-Hydroxyequilenin 3-methyl ether
SpectraBase Compound ID 9vaEqyS7IHU
InChI InChI=1S/C19H20O3/c1-19-8-7-14-13-4-3-12(22-2)9-11(13)10-16(20)18(14)15(19)5-6-17(19)21/h3-4,9-10,15,20H,5-8H2,1-2H3/t15-,19-/m0/s1
InChIKey BSIVYSNZNYWQJQ-KXBFYZLASA-N
Mol Weight 296.37 g/mol
Molecular Formula C19H20O3
Exact Mass 296.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoeJ0qkflNj
Name 7-Hydroxyequilenin 3-methyl ether
Alternate Name(s) 7-Hydroxy-3-methoxyestra-1,3,5,7,9-pentaen-17-one
CAS Registry Number 116503-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O3
InChI InChI=1S/C19H20O3/c1-19-8-7-14-13-4-3-12(22-2)9-11(13)10-16(20)18(14)15(19)5-6-17(19)21/h3-4,9-10,15,20H,5-8H2,1-2H3/t15-,19-/m0/s1
InChIKey BSIVYSNZNYWQJQ-KXBFYZLASA-N
Molecular Weight 296.366 g/mol
SMILES Oc1c2[C@]3([C@@](C(=O)CC3)(CCc2c2ccc(cc2c1)OC)C)[H]
SPLASH splash10-0002-0090000000-371bfed61d033d07c359
Source of Spectrum J-53-5537-6
Wiley ID 1299457