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FRAXICARBOSIDE-C;3''-O-ACETYL-6''-O-TRANS-CAFFEOYL-10-HYDROXYOLEUROPEIN
SpectraBase Compound ID JhHHNhJf2wa
InChI InChI=1S/C36H40O18/c1-18(38)52-33-31(45)28(17-50-29(43)8-5-19-3-6-24(39)26(41)13-19)53-36(32(33)46)54-35-21(9-11-37)22(23(16-51-35)34(47)48-2)15-30(44)49-12-10-20-4-7-25(40)27(42)14-20/h3-9,13-14,16,22,28,31-33,35-37,39-42,45-46H,10-12,15,17H2,1-2H3/b8-5+,21-9-/t22-,28-,31-,32-,33+,35-,36+/m1/s1
InChIKey MPAWGZHLBSDDEL-DFLPTOGHSA-N
Mol Weight 760.7 g/mol
Molecular Formula C36H40O18
Exact Mass 760.221464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vkKq3V3sF
Name FRAXICARBOSIDE-C;3''-O-ACETYL-6''-O-TRANS-CAFFEOYL-10-HYDROXYOLEUROPEIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O18
InChI InChI=1S/C36H40O18/c1-18(38)52-33-31(45)28(17-50-29(43)8-5-19-3-6-24(39)26(41)13-19)53-36(32(33)46)54-35-21(9-11-37)22(23(16-51-35)34(47)48-2)15-30(44)49-12-10-20-4-7-25(40)27(42)14-20/h3-9,13-14,16,22,28,31-33,35-37,39-42,45-46H,10-12,15,17H2,1-2H3/b8-5+,21-9-/t22-,28-,31-,32-,33+,35-,36+/m1/s1
InChIKey MPAWGZHLBSDDEL-DFLPTOGHSA-N
Literature Reference Author M.HOSNY
Literature Reference Citation PHYTOCHEM.,47,1569(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00790-5
Molecular Weight 760.703 g/mol
Solvent CD3OD
Source File Reference UWMS816