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CAUDATOSIDE-E-HEPTAACETATE
SpectraBase Compound ID 2eRqnth6G4S
InChI InChI=1S/C40H46O21/c1-17-31-32(35(33(17)55-21(5)44)60-30(48)13-11-25-10-12-27(53-19(3)42)28(14-25)54-20(4)43)26(38(49)50-9)15-52-39(31)61-40-37(58-24(8)47)36(57-23(7)46)34(56-22(6)45)29(59-40)16-51-18(2)41/h10-15,17,29,31-37,39-40H,16H2,1-9H3/b13-11+/t17-,29+,31+,32+,33+,34+,35-,36-,37+,39-,40-/m1/s1
InChIKey PBOCXRFXINXDBY-RIAAHHEHSA-N
Mol Weight 862.8 g/mol
Molecular Formula C40H46O21
Exact Mass 862.253158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1drk7PSgVKK
Name CAUDATOSIDE-E-HEPTAACETATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O21
InChI InChI=1S/C40H46O21/c1-17-31-32(35(33(17)55-21(5)44)60-30(48)13-11-25-10-12-27(53-19(3)42)28(14-25)54-20(4)43)26(38(49)50-9)15-52-39(31)61-40-37(58-24(8)47)36(57-23(7)46)34(56-22(6)45)29(59-40)16-51-18(2)41/h10-15,17,29,31-37,39-40H,16H2,1-9H3/b13-11+/t17-,29+,31+,32+,33+,34+,35-,36-,37+,39-,40-/m1/s1
InChIKey PBOCXRFXINXDBY-RIAAHHEHSA-N
Literature Reference Author S.AYERS,A.T.SNEDEN
Literature Reference Citation J.NAT.PROD.,65,1621(2002)
Literature Reference DOI 10.1021/np020211c
Molecular Weight 862.793 g/mol
Solvent CDCl3
Source File Reference UWSI7212