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(7S)-ISOHAENKEANOSIDE-PENTAACETATE
SpectraBase Compound ID 9mPeE1pHZrr
InChI InChI=1S/C36H42O18/c1-17-30-25(14-29(47-17)49-19(3)38)26(34(43)44-7)15-46-35(30)54-36-33(52-22(6)41)32(51-21(5)40)31(50-20(4)39)27(53-36)16-45-28(42)13-10-23-8-11-24(12-9-23)48-18(2)37/h8-13,15,17,25,27,29-33,35-36H,14,16H2,1-7H3/b13-10+/t17-,25?,27-,29-,30?,31-,32+,33-,35-,36+/m1/s1
InChIKey RUVVPJDCJCHSFA-GSLZNDPFSA-N
Mol Weight 762.7 g/mol
Molecular Formula C36H42O18
Exact Mass 762.237114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwoBgeo0rzQ
Name (7S)-ISOHAENKEANOSIDE-PENTAACETATE
Compound Number 176
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O18
InChI InChI=1S/C36H42O18/c1-17-30-25(14-29(47-17)49-19(3)38)26(34(43)44-7)15-46-35(30)54-36-33(52-22(6)41)32(51-21(5)40)31(50-20(4)39)27(53-36)16-45-28(42)13-10-23-8-11-24(12-9-23)48-18(2)37/h8-13,15,17,25,27,29-33,35-36H,14,16H2,1-7H3/b13-10+/t17-,25?,27-,29-,30?,31-,32+,33-,35-,36+/m1/s1
InChIKey RUVVPJDCJCHSFA-GSLZNDPFSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,54,1173(1991)
Literature Reference DOI 10.1021/np50077a001
Molecular Weight 762.719 g/mol
Solvent CDCl3
Source File Reference UWCS4547