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BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-6-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID FheTIWztbHn
InChI InChI=1S/C28H34O15/c29-12-28(38)13-41-27(25(28)37)43-24-23(36)22(35)20(11-40-21(34)6-3-14-1-4-16(30)18(32)9-14)42-26(24)39-8-7-15-2-5-17(31)19(33)10-15/h1-6,9-10,20,22-27,29-33,35-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
InChIKey NSDMGXRVIBQWAN-FQMHKDNFSA-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 KmncLM0zf14
Name BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-6-O-E-CAFFEOYL-O-[BETA-D-APIOFURANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O15
InChI InChI=1S/C28H34O15/c29-12-28(38)13-41-27(25(28)37)43-24-23(36)22(35)20(11-40-21(34)6-3-14-1-4-16(30)18(32)9-14)42-26(24)39-8-7-15-2-5-17(31)19(33)10-15/h1-6,9-10,20,22-27,29-33,35-38H,7-8,11-13H2/b6-3+/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
InChIKey NSDMGXRVIBQWAN-FQMHKDNFSA-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 37579
Solvent CD3OD