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3-Methoxy-16a,17a-dihydroxy-estra-1,3,5(10)-triene

View entire compound with spectra: 7 NMR, and 2 MS (GC)

3-Methoxy-16a,17a-dihydroxy-estra-1,3,5(10)-triene
SpectraBase Compound ID 3w8p9xD59pH
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3
InChIKey UHQGCIIQUZBJAE-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnlITK22wLE
Name 3-Methoxy-16a,17a-dihydroxy-estra-1,3,5(10)-triene
CAS Registry Number 7004-98-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-19-8-7-14-13-6-4-12(22-2)9-11(13)3-5-15(14)16(19)10-17(20)18(19)21/h4,6,9,14-18,20-21H,3,5,7-8,10H2,1-2H3
InChIKey UHQGCIIQUZBJAE-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference G. Engelhardt, D. Zeigan, B. Schoenecker, Org. Magn. Resonance 12, 628 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3