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JPDQMEMXUWHCMM-NGENYSKXSA-N

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JPDQMEMXUWHCMM-NGENYSKXSA-N
SpectraBase Compound ID 2BbNvfJBSpo
InChI InChI=1S/2C29H30O5S/c2*1-2-18-30-26-25-24(20-32-28(34-25)22-14-8-4-9-15-22)33-29(35-23-16-10-5-11-17-23)27(26)31-19-21-12-6-3-7-13-21/h2*2-17,24-29H,1,18-20H2/t2*24-,25-,26+,27+,28-,29-/m00/s1
InChIKey JPDQMEMXUWHCMM-NGENYSKXSA-N
Mol Weight 981.23 g/mol
Molecular Formula C58H60O10S2
Exact Mass 980.36279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOja5VGTtEU
Name JPDQMEMXUWHCMM-NGENYSKXSA-N
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H60O10S2
InChI InChI=1S/2C29H30O5S/c2*1-2-18-30-26-25-24(20-32-28(34-25)22-14-8-4-9-15-22)33-29(35-23-16-10-5-11-17-23)27(26)31-19-21-12-6-3-7-13-21/h2*2-17,24-29H,1,18-20H2/t2*24-,25-,26+,27+,28-,29-/m00/s1
InChIKey JPDQMEMXUWHCMM-NGENYSKXSA-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 981.228 g/mol
Sample ID 30288
Solvent CDCl3