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LIANQIAOXINOSIDE-B;1'',2''-[BETA-(3,4-DIHYDROXYLPHENYL)-ALPHA,BETA-DIOXOETHANOL]-3''-O-CAFFEOYL-O-ALPHA-RHAMNOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID 7GK6fiowiXB
InChI InChI=1S/C29H34O15/c1-12-22(35)24(37)25(38)28(41-12)39-11-20-23(36)26(44-21(34)7-3-13-2-5-15(30)17(32)8-13)27-29(43-20)40-10-19(42-27)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-33,35-38H,10-11H2,1H3/b7-3+/t12-,19-,20-,22-,23-,24+,25+,26+,27-,28+,29-/m1/s1
InChIKey KUWJZIWRPHXUJQ-AKDSAUAESA-N
Mol Weight 622.6 g/mol
Molecular Formula C29H34O15
Exact Mass 622.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3N4ilxIrtR
Name LIANQIAOXINOSIDE-B;1'',2''-[BETA-(3,4-DIHYDROXYLPHENYL)-ALPHA,BETA-DIOXOETHANOL]-3''-O-CAFFEOYL-O-ALPHA-RHAMNOPYRANOSYL-(1->6)-O-BETA-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H34O15
InChI InChI=1S/C29H34O15/c1-12-22(35)24(37)25(38)28(41-12)39-11-20-23(36)26(44-21(34)7-3-13-2-5-15(30)17(32)8-13)27-29(43-20)40-10-19(42-27)14-4-6-16(31)18(33)9-14/h2-9,12,19-20,22-33,35-38H,10-11H2,1H3/b7-3+/t12-,19-,20-,22-,23-,24+,25+,26+,27-,28+,29-/m1/s1
InChIKey KUWJZIWRPHXUJQ-AKDSAUAESA-N
Literature Reference Author H.X.KUANG,Y.G.XIA,J.LIANG,B.Y.YANG,Q.H.WANG
Literature Reference Citation MOLECULES,16,5674(2011)
Literature Reference DOI 10.3390/molecules16075674
Molecular Weight 622.580 g/mol
Sample ID 378
Solvent CD3OD