John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=12GZetnv62F SpectraBase Spectrum ID=7FVDCqh0Hcb

(accessed ).
6'-O-TRANS-CAFFEOYLNEGUNDOSIDE
SpectraBase Compound ID 12GZetnv62F
InChI InChI=1S/C32H34O15/c1-32(42)11-10-18-19(28(39)40)13-44-30(24(18)32)47-31-27(46-29(41)16-4-6-17(33)7-5-16)26(38)25(37)22(45-31)14-43-23(36)9-3-15-2-8-20(34)21(35)12-15/h2-9,12-13,18,22,24-27,30-31,33-35,37-38,42H,10-11,14H2,1H3,(H,39,40)/b9-3+/t18-,22-,24-,25-,26+,27-,30+,31+,32+/m1/s1
InChIKey LZVBQYSONKTXFG-XYYTZZQVSA-N
Mol Weight 658.6 g/mol
Molecular Formula C32H34O15
Exact Mass 658.189771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7FVDCqh0Hcb
Name 6'-O-TRANS-CAFFEOYL-NEGUNDOSIDE
Compound Number 167
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H34O15
InChI InChI=1S/C32H34O15/c1-32(42)11-10-18-19(28(39)40)13-44-30(24(18)32)47-31-27(46-29(41)16-4-6-17(33)7-5-16)26(38)25(37)22(45-31)14-43-23(36)9-3-15-2-8-20(34)21(35)12-15/h2-9,12-13,18,22,24-27,30-31,33-35,37-38,42H,10-11,14H2,1H3,(H,39,40)/b9-3+/t18-,22-,24-,25-,26+,27-,30+,31+,32+/m1/s1
InChIKey LZVBQYSONKTXFG-XYYTZZQVSA-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 658.613 g/mol
Sample ID 37963
Solvent CD3OD
SpectraBase Batch ID 4D53THuwwkk