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1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4'-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3')-D-GALACTOPYRANOSIDE
SpectraBase Compound ID JVqwlYya1r2
InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1
InChIKey FBSKJMQYURKNSU-SNOBYZISSA-N
Mol Weight 624.6 g/mol
Molecular Formula C29H36O15
Exact Mass 624.20542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbbcmMh4Pn6
Name 1'-O-BETA-(3,4-DIHYDROXYPHENYL)-ETHYL-4'-O-CAFFEOYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3')-D-GALACTOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O15
InChI InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1
InChIKey FBSKJMQYURKNSU-SNOBYZISSA-N
Literature Reference Author M.SUO,T.OHTA,F.TAKANO,S.JIN
Literature Reference Citation MOLECULES,18,7336(2013)
Literature Reference DOI 10.3390/molecules18077336
Molecular Weight 624.596 g/mol
Solvent CD3OD
Source File Reference UWIR9003