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

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16a-Ethylthio-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
SpectraBase Compound ID ACIcpKBfijb
InChI InChI=1S/C21H30O2S/c1-4-24-19-12-18-17-7-5-13-11-14(23-3)6-8-15(13)16(17)9-10-21(18,2)20(19)22/h6,8,11,16-20,22H,4-5,7,9-10,12H2,1-3H3
InChIKey AGSRZSRPGGPKPR-UHFFFAOYSA-N
Mol Weight 346.53 g/mol
Molecular Formula C21H30O2S
Exact Mass 346.196651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4LUkh9JICx
Name 16a-Ethylthio-3-methoxy-17b-hydroxy-1,3,5(10)-estratriene
CAS Registry Number 51946-40-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O2S
InChI InChI=1S/C21H30O2S/c1-4-24-19-12-18-17-7-5-13-11-14(23-3)6-8-15(13)16(17)9-10-21(18,2)20(19)22/h6,8,11,16-20,22H,4-5,7,9-10,12H2,1-3H3
InChIKey AGSRZSRPGGPKPR-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