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ISOLIGSTROSIDE-PENTAACETATE
SpectraBase Compound ID GtUMFjKLUAU
InChI InChI=1S/C35H42O17/c1-8-25-26(15-29(41)43-7)27(33(42)44-14-13-23-9-11-24(12-10-23)47-19(3)37)16-46-34(25)52-35-32(50-22(6)40)31(49-21(5)39)30(48-20(4)38)28(51-35)17-45-18(2)36/h8-12,16,26,28,30-32,34-35H,13-15,17H2,1-7H3/b25-8-/t26-,28-,30-,31+,32-,34-,35+/m0/s1
InChIKey XAMLVPBKEVSNDH-ODYWDZIVSA-N
Mol Weight 734.7 g/mol
Molecular Formula C35H42O17
Exact Mass 734.2422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2MSlbWsxnA9
Name ISOLIGSTROSIDE-PENTAACETATE
Compound Number 13A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42O17
InChI InChI=1S/C35H42O17/c1-8-25-26(15-29(41)43-7)27(33(42)44-14-13-23-9-11-24(12-10-23)47-19(3)37)16-46-34(25)52-35-32(50-22(6)40)31(49-21(5)39)30(48-20(4)38)28(51-35)17-45-18(2)36/h8-12,16,26,28,30-32,34-35H,13-15,17H2,1-7H3/b25-8-/t26-,28-,30-,31+,32-,34-,35+/m0/s1
InChIKey XAMLVPBKEVSNDH-ODYWDZIVSA-N
Literature Reference Author S.DAMTOFT,H.FRANZYK,S.R.JENSEN
Literature Reference Citation PHYTOCHEM.,31,4197(1992)
Literature Reference DOI 10.1016/0031-9422(92)80442-H
Molecular Weight 734.708 g/mol
Solvent CDCl3
Source File Reference UWVN26652