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4-O-(2'',3''-O-DIACETYL-6''-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)-PARA-COUMARIC-ACID
SpectraBase Compound ID 8AnHZ6lbldJ
InChI InChI=1S/C28H28O12/c1-16(29)37-26-25(35)22(15-36-24(34)14-8-18-3-9-20(31)10-4-18)40-28(27(26)38-17(2)30)39-21-11-5-19(6-12-21)7-13-23(32)33/h3-14,22,25-28,31,35H,15H2,1-2H3,(H,32,33)/b13-7+,14-8+/t22-,25-,26+,27-,28-/m0/s1
InChIKey BCLWKWUPJXPAMM-FAIDFLBXSA-N
Mol Weight 556.52 g/mol
Molecular Formula C28H28O12
Exact Mass 556.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOSUjpUPtX2
Name 4-O-(2'',3''-O-DIACETYL-6''-O-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)-PARA-COUMARIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O12
InChI InChI=1S/C28H28O12/c1-16(29)37-26-25(35)22(15-36-24(34)14-8-18-3-9-20(31)10-4-18)40-28(27(26)38-17(2)30)39-21-11-5-19(6-12-21)7-13-23(32)33/h3-14,22,25-28,31,35H,15H2,1-2H3,(H,32,33)/b13-7+,14-8+/t22-,25-,26+,27-,28-/m0/s1
InChIKey BCLWKWUPJXPAMM-FAIDFLBXSA-N
Literature Reference Author X.W.YANG,M.Z.HUANG,Y.S.JIN,L.N.SUN,Y.SONG,H.S.CHEN
Literature Reference Citation FITOTERAPIA,83,1169(2012)
Literature Reference DOI 10.1016/j.fitote.2012.07.005
Molecular Weight 556.523 g/mol
Sample ID 72009
Solvent DMSO-D6