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2'-O-PARA-HYDROXYBENZOYL-6'-O-TRANS-CAFFEOYLGARDOSIDE
SpectraBase Compound ID Dm15tYY3Bzj
InChI InChI=1S/C32H32O15/c1-14-21(35)11-18-19(29(40)41)12-44-31(25(14)18)47-32-28(46-30(42)16-4-6-17(33)7-5-16)27(39)26(38)23(45-32)13-43-24(37)9-3-15-2-8-20(34)22(36)10-15/h2-10,12,18,21,23,25-28,31-36,38-39H,1,11,13H2,(H,40,41)/b9-3+/t18-,21+,23-,25-,26-,27+,28-,31+,32+/m1/s1
InChIKey HCERMAQLPHPTQE-PTWHRHFTSA-N
Mol Weight 656.6 g/mol
Molecular Formula C32H32O15
Exact Mass 656.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TsXnIomo9L
Name 2'-O-PARA-HYDROXYBENZOYL-6'-O-TRANS-CAFFEOYL-GARDOSIDE
Compound Number 161
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H32O15
InChI InChI=1S/C32H32O15/c1-14-21(35)11-18-19(29(40)41)12-44-31(25(14)18)47-32-28(46-30(42)16-4-6-17(33)7-5-16)27(39)26(38)23(45-32)13-43-24(37)9-3-15-2-8-20(34)22(36)10-15/h2-10,12,18,21,23,25-28,31-36,38-39H,1,11,13H2,(H,40,41)/b9-3+/t18-,21+,23-,25-,26-,27+,28-,31+,32+/m1/s1
InChIKey HCERMAQLPHPTQE-PTWHRHFTSA-N
Literature Reference Author B.DINDA,S.DEBNATH,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,55,159(2007)
Literature Reference DOI 10.1248/cpb.55.159
Molecular Weight 656.597 g/mol
Sample ID 37957
Solvent CD3OD