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IGCXWPRGPSCPTQ-IILUYDORSA-N
SpectraBase Compound ID GmVi2yYdeCQ
InChI InChI=1S/C42H58O2S/c1-25(43)33-11-13-35-31-9-7-27-23-29(15-19-39(27,3)37(31)17-21-41(33,35)5)45-30-16-20-40(4)28(24-30)8-10-32-36-14-12-34(26(2)44)42(36,6)22-18-38(32)40/h7-8,23-24,31-38H,9-22H2,1-6H3/t31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
InChIKey IGCXWPRGPSCPTQ-IILUYDORSA-N
Mol Weight 627.0 g/mol
Molecular Formula C42H58O2S
Exact Mass 626.415752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CWXmSq6ndiu
Name IGCXWPRGPSCPTQ-IILUYDORSA-N
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H58O2S
InChI InChI=1S/C42H58O2S/c1-25(43)33-11-13-35-31-9-7-27-23-29(15-19-39(27,3)37(31)17-21-41(33,35)5)45-30-16-20-40(4)28(24-30)8-10-32-36-14-12-34(26(2)44)42(36,6)22-18-38(32)40/h7-8,23-24,31-38H,9-22H2,1-6H3/t31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+/m0/s1
InChIKey IGCXWPRGPSCPTQ-IILUYDORSA-N
Literature Reference Author N.M.KRSTIC,M.S.BJELAKOVIC,M.M.DABOVIC,V.D.PAVLOVIC
Literature Reference Citation MOLECULES,15,3462(2010)
Literature Reference DOI 10.3390/molecules15053462
Molecular Weight 626.981 g/mol
Sample ID 70913
Solvent CDCl3