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7.beta.-hydroxy-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-one
SpectraBase Compound ID 9ypMKY6Egow
InChI InChI=1S/C19H22O3/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/h3-4,7,9,15-16,18,20H,5-6,8,10H2,1-2H3/t15-,16-,18+,19-/m0/s1
InChIKey IMHXUSNFLJZUOK-DKKFBQAASA-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 7auioJOMDdv
Name 7.beta.-hydroxy-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-one
CAS Registry Number 116503-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/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/h3-4,7,9,15-16,18,20H,5-6,8,10H2,1-2H3/t15-,16-,18+,19-/m0/s1
InChIKey IMHXUSNFLJZUOK-DKKFBQAASA-N
Molecular Weight 298.382 g/mol
SMILES O[C@@]1([C@]2([C@@]3(CCC([C@]3(CC=C2c2c(C1)cc(cc2)OC)C)=O)[H])[H])[H]
SPLASH splash10-0002-0090000000-968f2175f6d2cde045a8
Source of Spectrum J-53-5537-10
Synonyms (7beta)-7-hydroxy-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-one
Wiley ID 1301270