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3-O-Methyl-17.beta.-oestradiol

View entire compound with spectra: 2 MS (GC)

3-O-Methyl-17.beta.-oestradiol
SpectraBase Compound ID DI7V8By2kmP
InChI InChI=1S/C19H26O2/c1-18-10-8-17(21)19(18,2)9-7-15-14-5-4-13(20)11-12(14)3-6-16(15)18/h4-5,11,15-17,20-21H,3,6-10H2,1-2H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey USBJKISQUFZKTA-FVVUREQNSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfUH2IFEvc7
Name 3-O-Methyl-17.beta.-oestradiol
Alternate Name(s) Estra-1,3,5(10)-triene-3,17-diol, 14-methyl-, (14.beta.,17.alpha.)- (14beta,17alpha)-14-methylestra-1,3,5(10)-triene-3,17-diol 14-Methyl-14.beta.-estra-1,3,5(10)-triene-3,17.alpha.-diol
CAS Registry Number 109429-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-18-10-8-17(21)19(18,2)9-7-15-14-5-4-13(20)11-12(14)3-6-16(15)18/h4-5,11,15-17,20-21H,3,6-10H2,1-2H3/t15-,16-,17-,18-,19-/m1/s1
InChIKey USBJKISQUFZKTA-FVVUREQNSA-N
Molecular Weight 286.415 g/mol
SMILES Oc1ccc2[C@@]3([C@]([C@@]4([C@@]([C@@](CC4)(O)[H])(CC3)C)C)(CCc2c1)[H])[H]
SPLASH splash10-01ot-0940000000-16e7c6ee6d8ca6ba3ca0
Source of Spectrum KC-57-1841-0
Wiley ID 1623158