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SOCOTRIN-4'-OL
SpectraBase Compound ID CBj1A78NYPI
InChI InChI=1S/C31H30O6/c1-36-30-17-25(34)13-6-21(30)7-14-26(19-2-9-23(32)10-3-19)27-16-22-8-15-29(37-31(22)18-28(27)35)20-4-11-24(33)12-5-20/h2-6,9-13,16-18,26,29,32-35H,7-8,14-15H2,1H3
InChIKey CNVYKHIMCHCMKA-UHFFFAOYSA-N
Mol Weight 498.58 g/mol
Molecular Formula C31H30O6
Exact Mass 498.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JjbAC7Er6ru
Name SOCOTRIN-4'-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H30O6
InChI InChI=1S/C31H30O6/c1-36-30-17-25(34)13-6-21(30)7-14-26(19-2-9-23(32)10-3-19)27-16-22-8-15-29(37-31(22)18-28(27)35)20-4-11-24(33)12-5-20/h2-6,9-13,16-18,26,29,32-35H,7-8,14-15H2,1H3
InChIKey CNVYKHIMCHCMKA-UHFFFAOYSA-N
Literature Reference Author M.MASAOUD,U.HIMMELREICH,H.RIPPERGER,G.ADAM
Literature Reference Citation PLANTA.MED.,61,341(1995)
Literature Reference DOI 10.1055/s-2006-958096
Molecular Weight 498.576 g/mol
Solvent CD3OD
Source File Reference UIAP713