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BETA-(4-HYDROXYPHENYL)-ETHYL-3-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID VY9XM0q19r
InChI InChI=1S/C28H34O14/c29-12-20-22(35)23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey RHQIZJFLMIOHRF-JVCBPESXSA-N
Mol Weight 594.6 g/mol
Molecular Formula C28H34O14
Exact Mass 594.194856 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID tvdRqhceyP
Name BETA-(4-HYDROXYPHENYL)-ETHYL-3-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O14
InChI InChI=1S/C28H34O14/c29-12-20-22(35)23(41-21(34)8-4-16-3-7-18(32)19(33)11-16)24(42-27-25(36)28(37,13-30)14-39-27)26(40-20)38-10-9-15-1-5-17(31)6-2-15/h1-8,11,20,22-27,29-33,35-37H,9-10,12-14H2/b8-4+/t20-,22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKey RHQIZJFLMIOHRF-JVCBPESXSA-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 594.570 g/mol
Sample ID 37582
Solvent CD3OD