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3a,4-Epithio-5a-androstan-17b-yl acetate

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3a,4-Epithio-5a-androstan-17b-yl acetate
SpectraBase Compound ID 5QncV2kxHVN
InChI InChI=1S/C21H32O2S/c1-12(22)23-18-7-6-14-13-4-5-16-19-17(24-19)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-19H,4-11H2,1-3H3
InChIKey LSUATCWUDHFNBK-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O2S
Exact Mass 348.212301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DHoe7uhAPIS
Name 3b,4-Epithio-5a-androstan-17b-yl acetate
CAS Registry Number 1164-82-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O2S
InChI InChI=1S/C21H32O2S/c1-12(22)23-18-7-6-14-13-4-5-16-19-17(24-19)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-19H,4-11H2,1-3H3
InChIKey LSUATCWUDHFNBK-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 CDCl3