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S-Phenyl-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate

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S-Phenyl-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate
SpectraBase Compound ID 1jsR18yX2xI
InChI InChI=1S/C31H44O4S/c1-29-16-13-22(32)19-21(29)9-10-24-25-11-12-27(30(25,2)17-14-26(24)29)31(34,20-35-3)18-15-28(33)36-23-7-5-4-6-8-23/h4-8,15,18,21-22,24-27,32,34H,9-14,16-17,19-20H2,1-3H3/b18-15+
InChIKey IRFWHZKOZAPHCG-OBGWFSINSA-N
Mol Weight 512.7 g/mol
Molecular Formula C31H44O4S
Exact Mass 512.296031 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gG8lntQZa8
Name S-Phenyl-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate
CAS Registry Number 83862-65-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H44O4S
InChI InChI=1S/C31H44O4S/c1-29-16-13-22(32)19-21(29)9-10-24-25-11-12-27(30(25,2)17-14-26(24)29)31(34,20-35-3)18-15-28(33)36-23-7-5-4-6-8-23/h4-8,15,18,21-22,24-27,32,34H,9-14,16-17,19-20H2,1-3H3/b18-15+
InChIKey IRFWHZKOZAPHCG-OBGWFSINSA-N
Literature Reference J. Org. Chem. 48, 34 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3