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3-Methoxy-17b-hydroxy-1,3,5(10)-estratrien-16a-thiol

View entire compound with spectra: 1 NMR

3-Methoxy-17b-hydroxy-1,3,5(10)-estratrien-16a-thiol
SpectraBase Compound ID 5FUQIyS6shU
InChI InChI=1S/C19H26O2S/c1-19-8-7-14-13-6-4-12(21-2)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20/h4,6,9,14-18,20,22H,3,5,7-8,10H2,1-2H3
InChIKey VXTCZGDNRDNHRI-UHFFFAOYSA-N
Mol Weight 318.47 g/mol
Molecular Formula C19H26O2S
Exact Mass 318.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CySfNOhTgRu
Name 3-Methoxy-17b-hydroxy-1,3,5(10)-estratrien-16a-thiol
CAS Registry Number 51946-49-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H26O2S
InChI InChI=1S/C19H26O2S/c1-19-8-7-14-13-6-4-12(21-2)9-11(13)3-5-15(14)16(19)10-17(22)18(19)20/h4,6,9,14-18,20,22H,3,5,7-8,10H2,1-2H3
InChIKey VXTCZGDNRDNHRI-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