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S-(2-Methoxyphenyl)-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate

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S-(2-Methoxyphenyl)-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate
SpectraBase Compound ID IUaKGJ8ouUW
InChI InChI=1S/C32H46O5S/c1-30-16-13-22(33)19-21(30)9-10-23-24-11-12-28(31(24,2)17-14-25(23)30)32(35,20-36-3)18-15-29(34)38-27-8-6-5-7-26(27)37-4/h5-8,15,18,21-25,28,33,35H,9-14,16-17,19-20H2,1-4H3/b18-15+
InChIKey DYGGUANLQWOCAW-OBGWFSINSA-N
Mol Weight 542.8 g/mol
Molecular Formula C32H46O5S
Exact Mass 542.306596 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fqb82g9roqm
Name S-(2-Methoxyphenyl)-(3.beta.,20S,22E)-3,20-dihydroxy-21-methoxy-5.beta.-chol-22-ene-24-thioate
CAS Registry Number 83897-12-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C32H46O5S
InChI InChI=1S/C32H46O5S/c1-30-16-13-22(33)19-21(30)9-10-23-24-11-12-28(31(24,2)17-14-25(23)30)32(35,20-36-3)18-15-29(34)38-27-8-6-5-7-26(27)37-4/h5-8,15,18,21-25,28,33,35H,9-14,16-17,19-20H2,1-4H3/b18-15+
InChIKey DYGGUANLQWOCAW-OBGWFSINSA-N
Literature Reference J. Org. Chem. 48, 34 (1983).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3