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SOCOTRIN-4'-OL_TETRAACETATE

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SOCOTRIN-4'-OL_TETRAACETATE
SpectraBase Compound ID GC97qc0UZIO
InChI InChI=1S/C39H38O10/c1-23(40)45-31-13-6-27(7-14-31)34(18-11-29-10-17-33(47-25(3)42)21-37(29)44-5)35-20-30-12-19-36(49-38(30)22-39(35)48-26(4)43)28-8-15-32(16-9-28)46-24(2)41/h6-10,13-17,20-22,34,36H,11-12,18-19H2,1-5H3
InChIKey JNJQCYAKSHPMDT-UHFFFAOYSA-N
Mol Weight 666.7 g/mol
Molecular Formula C39H38O10
Exact Mass 666.246497 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gIWM12Ksfk
Name SOCOTRIN-4'-OL_TETRAACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H38O10
InChI InChI=1S/C39H38O10/c1-23(40)45-31-13-6-27(7-14-31)34(18-11-29-10-17-33(47-25(3)42)21-37(29)44-5)35-20-30-12-19-36(49-38(30)22-39(35)48-26(4)43)28-8-15-32(16-9-28)46-24(2)41/h6-10,13-17,20-22,34,36H,11-12,18-19H2,1-5H3
InChIKey JNJQCYAKSHPMDT-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 666.725 g/mol
Solvent CDCl3
Source File Reference UIAP715