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2a,3-Epithio-5a-androstan-17b-yl acetate

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2a,3-Epithio-5a-androstan-17b-yl acetate
SpectraBase Compound ID 7ZpEcLIpKvm
InChI InChI=1S/C21H32O2S/c1-12(22)23-19-7-6-15-14-5-4-13-10-17-18(24-17)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3
InChIKey YZNZKKCAEOECCX-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 9hht21nxtOC
Name 2a,3-Epithio-5a-androstan-17b-yl acetate
CAS Registry Number 2136-24-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H32O2S
InChI InChI=1S/C21H32O2S/c1-12(22)23-19-7-6-15-14-5-4-13-10-17-18(24-17)11-21(13,3)16(14)8-9-20(15,19)2/h13-19H,4-11H2,1-3H3
InChIKey YZNZKKCAEOECCX-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