John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KAjl4JvR4bG SpectraBase Spectrum ID=10ursY3j5zV

(accessed ).
BETA-((3,4-DIHYDROXYPHENYL)-ETHYL-3-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID KAjl4JvR4bG
InChI InChI=1S/C28H34O15/c29-11-20-22(36)23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey YWKLZOGFDAIZCI-CDXLXERUSA-N
Mol Weight 610.6 g/mol
Molecular Formula C28H34O15
Exact Mass 610.189771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10ursY3j5zV
Name BETA-((3,4-DIHYDROXYPHENYL)-ETHYL-3-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O15
InChI InChI=1S/C28H34O15/c29-11-20-22(36)23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)24(43-27-25(37)28(38,12-30)13-40-27)26(41-20)39-8-7-15-2-5-17(32)19(34)10-15/h1-6,9-10,20,22-27,29-34,36-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey YWKLZOGFDAIZCI-CDXLXERUSA-N
Literature Reference Author J.H.YANG,T.P.KONDRATYUK,K.C.JERMIHOV,L.E.MARLER,X.QIU,Y.CHOI ,H.CAO,R.YU,M.STURDY
Literature Reference Citation J.NAT.PROD.,74,129(2011)
Literature Reference DOI 10.1021/np100373f
Molecular Weight 610.569 g/mol
Sample ID 37581
Solvent CD3OD
SpectraBase Batch ID Dwic04tRDsg