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1,2'-DI-(3'',4''-DIHYDROXY-5''-METHOXY)-O-TRANS-CINNAMOYL-GENTIOBIOSE
SpectraBase Compound ID Atx4wp8henj
InChI InChI=1S/C32H38O19/c1-45-17-9-13(7-15(34)23(17)38)3-5-21(36)50-30-28(43)25(40)19(11-33)48-32(30)47-12-20-26(41)27(42)29(44)31(49-20)51-22(37)6-4-14-8-16(35)24(39)18(10-14)46-2/h3-10,19-20,25-35,38-44H,11-12H2,1-2H3/b5-3+,6-4+/t19-,20+,25-,26+,27-,28+,29+,30-,31-,32-/m1/s1
InChIKey HHPKRDZARJAVJF-ZAQXZXGISA-N
Mol Weight 726.6 g/mol
Molecular Formula C32H38O19
Exact Mass 726.200729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91hLitnDtp3
Name 1,2'-DI-(3'',4''-DIHYDROXY-5''-METHOXY)-O-TRANS-CINNAMOYL-GENTIOBIOSE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H38O19
InChI InChI=1S/C32H38O19/c1-45-17-9-13(7-15(34)23(17)38)3-5-21(36)50-30-28(43)25(40)19(11-33)48-32(30)47-12-20-26(41)27(42)29(44)31(49-20)51-22(37)6-4-14-8-16(35)24(39)18(10-14)46-2/h3-10,19-20,25-35,38-44H,11-12H2,1-2H3/b5-3+,6-4+/t19-,20+,25-,26+,27-,28+,29+,30-,31-,32-/m1/s1
InChIKey HHPKRDZARJAVJF-ZAQXZXGISA-N
Literature Reference Author T.HOSOYA,Y.S.YUN,A.KUNUGI
Literature Reference Citation PHYTOCHEM.,69,827(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.08.021
Molecular Weight 726.642 g/mol
Sample ID 43214
Solvent CD3OD