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acetic acid [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylthio)tetradecyl]-5-methoxy-phenyl] ester
SpectraBase Compound ID FCTD5QgQzNJ
InChI InChI=1S/C35H54O5S2/c1-7-41-34(19-15-11-9-10-13-17-28-21-30(37-4)25-31(22-28)38-5)35(42-8-2)20-16-12-14-18-29-23-32(39-6)26-33(24-29)40-27(3)36/h21-26,34-35H,7-20H2,1-6H3
InChIKey HMSIDKYSNVRHGD-UHFFFAOYSA-N
Mol Weight 618.9 g/mol
Molecular Formula C35H54O5S2
Exact Mass 618.341267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eRo8155l6L
Name acetic acid [3-[14-(3,5-dimethoxyphenyl)-6,7-bis(ethylthio)tetradecyl]-5-methoxy-phenyl] ester
Compound Number 10B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H54O5S2
InChI InChI=1S/C35H54O5S2/c1-7-41-34(19-15-11-9-10-13-17-28-21-30(37-4)25-31(22-28)38-5)35(42-8-2)20-16-12-14-18-29-23-32(39-6)26-33(24-29)40-27(3)36/h21-26,34-35H,7-20H2,1-6H3
InChIKey HMSIDKYSNVRHGD-UHFFFAOYSA-N
Literature Reference Author T.H.CHUANG,P.L.WU
Literature Reference Citation J.NAT.PROD.,70,319(2007)
Literature Reference DOI 10.1021/np0605687
Molecular Weight 618.931 g/mol
Sample ID 29714
Solvent CDCl3