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NXYJIFNUJVTKJX-YAORSUGWSA-N

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NXYJIFNUJVTKJX-YAORSUGWSA-N
SpectraBase Compound ID JIwjMRYUZsE
InChI InChI=1S/C33H34O5S/c34-30-31(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31-,32+,33-/m1/s1
InChIKey NXYJIFNUJVTKJX-YAORSUGWSA-N
Mol Weight 542.7 g/mol
Molecular Formula C33H34O5S
Exact Mass 542.212695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACHKxyc26ff
Name NXYJIFNUJVTKJX-YAORSUGWSA-N
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H34O5S
InChI InChI=1S/C33H34O5S/c34-30-31(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-33(39-28-19-11-4-12-20-28)32(30)37-23-27-17-9-3-10-18-27/h1-20,29-34H,21-24H2/t29-,30+,31-,32+,33-/m1/s1
InChIKey NXYJIFNUJVTKJX-YAORSUGWSA-N
Literature Reference Author I.MATSUO,M.WADA,S.MANABE,Y.YAMAGUCHI,K.OTAKE,K.KATO,Y.ITO
Literature Reference Citation J.AM.CHEM.SOC.,125,3402(2003)
Literature Reference DOI 10.1021/ja021288q
Molecular Weight 542.690 g/mol
Sample ID 30291
Solvent CDCl3