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3-Methoxy-estra-1,3,5(10)-trien-17-one

View entire compound with spectra: 38 NMR, and 18 MS (GC)

3-Methoxy-estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID LBOfqxAhNFT
InChI InChI=1S/C19H24O2/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/h4,6,11,15-17H,3,5,7-10H2,1-2H3
InChIKey BCWWDWHFBMPLFQ-UHFFFAOYSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3YDZpj4Mr64
Name 3-Methoxy-estra-1,3,5(10)-trien-17-one
CAS Registry Number 1624-62-0
Comments FROM WITTSTRUCK REASSIGNED BY STOTHERS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H24O2
InChI InChI=1S/C19H24O2/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/h4,6,11,15-17H,3,5,7-10H2,1-2H3
InChIKey BCWWDWHFBMPLFQ-UHFFFAOYSA-N
Literature Reference J.W. Blunt, J.B. Stothers, Org. Magn. Resonance 9, 439 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane