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SOCOTRIN-4'-OL_PHENOLATE_ION

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SOCOTRIN-4'-OL_PHENOLATE_ION
SpectraBase Compound ID CBizugTAb9E
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/p-4
InChIKey CNVYKHIMCHCMKA-UHFFFAOYSA-J
Mol Weight 494.54 g/mol
Molecular Formula C31H26O6
Exact Mass 494.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JpG7IJcdsFy
Name SOCOTRIN-4'-OL_PHENOLATE_ION
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H26O6
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/p-4
InChIKey CNVYKHIMCHCMKA-UHFFFAOYSA-J
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 494.544 g/mol
Solvent CD3OD
Source File Reference UIAP714