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FUCATOSIDE_A;1-O-3,4-(DIHYDROXYPHENYL)-ETHYL-BETA-D-APIOFURANOSYL-(1->2)-4-O-CAFFEOYL-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID LGfzmHClx9X
InChI InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)22(36)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 MNAIMEPYDVJSJU-YEBIDKENSA-N
Mol Weight 610.6 g/mol
Molecular Formula C28H34O15
Exact Mass 610.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5T46sZbJB6w
Name BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O15
InChI InChI=1S/C28H34O15/c29-11-20-23(42-21(35)6-3-14-1-4-16(31)18(33)9-14)22(36)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 MNAIMEPYDVJSJU-YEBIDKENSA-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 37580
Solvent CD3OD