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17.BETA.-METHOXY-ESTRA-4-ENE-3-ONE
SpectraBase Compound ID A04qNbw56PT
InChI InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21-2/h11,14-18H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey MHBMJFUSNSAUMP-ZOFHRBRSSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69CRtCuitjA
Name 17.BETA.-METHOXY-ESTRA-4-ENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21-2/h11,14-18H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1
InChIKey MHBMJFUSNSAUMP-ZOFHRBRSSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 74
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CCC2=C1)[H])[H])(OC)[H])C)[H])[H])=O
SPLASH splash10-000i-5590000000-37e4af116602e6b53b6c
Source File Reference LMCM-20352-816H
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-METHOXYESTR-4-EN-3-ONE (8R,9S,10R,13S,14S,17S)-17-methoxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_303