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6'-O-CINNAMOYL-8-O-(6'''-O-CINNAMOYLGLUCOPYRANOSYL)-MUSSAENOSIDIC_ACID
SpectraBase Compound ID 8wewySonpW
InChI InChI=1S/C40H46O17/c1-40(57-39-35(48)33(46)31(44)26(55-39)20-52-28(42)15-13-22-10-6-3-7-11-22)17-16-23-24(36(49)50)18-53-37(29(23)40)56-38-34(47)32(45)30(43)25(54-38)19-51-27(41)14-12-21-8-4-2-5-9-21/h2-15,18,23,25-26,29-35,37-39,43-48H,16-17,19-20H2,1H3,(H,49,50)/b14-12+,15-13+/t23-,25-,26+,29-,30-,31+,32+,33-,34-,35+,37-,38+,39-,40-/m0/s1
InChIKey GFPVMLGOXDZRCV-FKXPZCPZSA-N
Mol Weight 798.8 g/mol
Molecular Formula C40H46O17
Exact Mass 798.2735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOPsaAghgFl
Name 6'-O-CINNAMOYL-8-O-(6'''-O-CINNAMOYLGLUCOPYRANOSYL)-MUSSAENOSIDIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O17
InChI InChI=1S/C40H46O17/c1-40(57-39-35(48)33(46)31(44)26(55-39)20-52-28(42)15-13-22-10-6-3-7-11-22)17-16-23-24(36(49)50)18-53-37(29(23)40)56-38-34(47)32(45)30(43)25(54-38)19-51-27(41)14-12-21-8-4-2-5-9-21/h2-15,18,23,25-26,29-35,37-39,43-48H,16-17,19-20H2,1H3,(H,49,50)/b14-12+,15-13+/t23-,25-,26+,29-,30-,31+,32+,33-,34-,35+,37-,38+,39-,40-/m0/s1
InChIKey GFPVMLGOXDZRCV-FKXPZCPZSA-N
Literature Reference Author R.S.E.DINE,A.R.A.MONEM,A.M.EL-HALAWANY,M.HATTORI,E.ABDEL-SAT TAR
Literature Reference Citation J.NAT.PROD.,74,943(2011)
Literature Reference DOI 10.1021/np100554h
Molecular Weight 798.795 g/mol
Sample ID 38043
Solvent CD3OD