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4''-O-BETA-D-GLUCOPYRANOSYL-CAFFEOYL-CALLERYANIN

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4''-O-BETA-D-GLUCOPYRANOSYL-CAFFEOYL-CALLERYANIN
SpectraBase Compound ID I1hQdrcpPP4
InChI InChI=1S/C28H34O16/c29-9-18-21(34)23(36)25(38)27(43-18)41-16-4-1-12(7-14(16)31)3-6-20(33)40-11-13-2-5-17(15(32)8-13)42-28-26(39)24(37)22(35)19(10-30)44-28/h1-8,18-19,21-32,34-39H,9-11H2/b6-3+/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m0/s1
InChIKey RRGGESLOSSWKQB-MXNPRSAWSA-N
Mol Weight 626.6 g/mol
Molecular Formula C28H34O16
Exact Mass 626.184685 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4n27EsmQKM4
Name 4''-O-BETA-D-GLUCOPYRANOSYL-CAFFEOYL-CALLERYANIN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O16
InChI InChI=1S/C28H34O16/c29-9-18-21(34)23(36)25(38)27(43-18)41-16-4-1-12(7-14(16)31)3-6-20(33)40-11-13-2-5-17(15(32)8-13)42-28-26(39)24(37)22(35)19(10-30)44-28/h1-8,18-19,21-32,34-39H,9-11H2/b6-3+/t18-,19-,21-,22-,23+,24+,25-,26-,27-,28-/m0/s1
InChIKey RRGGESLOSSWKQB-MXNPRSAWSA-N
Literature Reference Author A.ITOH,Y.TANAKA,N.NAGAKURA,T.AKITA,T.NISHI,T.TANAHASHI
Literature Reference Citation PHYTOCHEM.,69,1208(2008)
Literature Reference DOI 10.1016/j.phytochem.2007.12.002
Molecular Weight 626.568 g/mol
Sample ID 43327
Solvent CD3OD