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16a-Thiocyanato-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene

View entire compound with spectra: 1 NMR

16a-Thiocyanato-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
SpectraBase Compound ID 65SM1HQ8ZBQ
InChI InChI=1S/C20H25NO2S/c1-20-8-7-15-14-6-4-13(23-2)9-12(14)3-5-16(15)17(20)10-18(19(20)22)24-11-21/h4,6,9,15-19,22H,3,5,7-8,10H2,1-2H3
InChIKey FMDAOJGETLISMT-UHFFFAOYSA-N
Mol Weight 343.49 g/mol
Molecular Formula C20H25NO2S
Exact Mass 343.1606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JWbLjlgUDQR
Name 16a-Thiocyanato-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
CAS Registry Number 51946-37-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H25NO2S
InChI InChI=1S/C20H25NO2S/c1-20-8-7-15-14-6-4-13(23-2)9-12(14)3-5-16(15)17(20)10-18(19(20)22)24-11-21/h4,6,9,15-19,22H,3,5,7-8,10H2,1-2H3
InChIKey FMDAOJGETLISMT-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