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IXBGQXIHWPYLCY-YTCPBCGMSA-N

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IXBGQXIHWPYLCY-YTCPBCGMSA-N
SpectraBase Compound ID JnN2vlFmX7y
InChI InChI=1S/C29H36O9S2/c1-39(30,31)37-19-18-27(35-21-25-14-8-4-9-15-25)29(36-22-26-16-10-5-11-17-26)28(38-40(2,32)33)23-34-20-24-12-6-3-7-13-24/h3-17,27-29H,18-23H2,1-2H3/t27-,28-,29+/m0/s1
InChIKey IXBGQXIHWPYLCY-YTCPBCGMSA-N
Mol Weight 592.7 g/mol
Molecular Formula C29H36O9S2
Exact Mass 592.180075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Al10ooq5Vd7
Name IXBGQXIHWPYLCY-YTCPBCGMSA-N
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O9S2
InChI InChI=1S/C29H36O9S2/c1-39(30,31)37-19-18-27(35-21-25-14-8-4-9-15-25)29(36-22-26-16-10-5-11-17-26)28(38-40(2,32)33)23-34-20-24-12-6-3-7-13-24/h3-17,27-29H,18-23H2,1-2H3/t27-,28-,29+/m0/s1
InChIKey IXBGQXIHWPYLCY-YTCPBCGMSA-N
Literature Reference Author P.PASSACANTILLI,C.CENTORE,E.CILIBERTI,F.LEONELLI,G.PIANCATEL LI
Literature Reference Citation EUR.J.ORG.CHEM.,3097(2006)
Molecular Weight 592.719 g/mol
Sample ID 44101
Solvent CDCl3