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3-Methoxyestra-1,3,5(10),7,15-pentaen-17-one
SpectraBase Compound ID LbPD5UPQJuM
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/h4-8,11,15,17H,3,9-10H2,1-2H3/t15-,17+,19+/m1/s1
InChIKey BFDBBCAJAHBUFK-AYBZRNKSSA-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 GehYSHbbymr
Name 3-Methoxyestra-1,3,5(10),7,15-pentaen-17-one
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/h4-8,11,15,17H,3,9-10H2,1-2H3/t15-,17+,19+/m1/s1
InChIKey BFDBBCAJAHBUFK-AYBZRNKSSA-N
Molecular Weight 280.367 g/mol
SMILES C1=2[C@]3([C@](C(=O)C=C3)(C)CC[C@@]1(c1ccc(cc1CC2)OC)[H])[H]
SPLASH splash10-053r-0590000000-1d78fb5078cc0d710379
Source of Spectrum F-55-11272-9
Synonyms (9S,13S,14S)-3-Methoxy-13-methyl-6,9,11,12,13,14-hexahydro-cyclopenta[a]phenanthren-17-one
Wiley ID 839255