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APIGENIN-7-O-(3''-ACETYL-6''-E-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID GrN8gyOKc8V
InChI InChI=1S/C32H28O13/c1-16(33)42-31-29(39)26(15-41-27(38)11-4-17-2-7-19(34)8-3-17)45-32(30(31)40)43-21-12-22(36)28-23(37)14-24(44-25(28)13-21)18-5-9-20(35)10-6-18/h2-14,26,29-32,34-36,39-40H,15H2,1H3/b11-4+/t26-,29-,30-,31+,32-/m0/s1
InChIKey PDUDZEVWHZXBNE-NLAHJSNASA-N
Mol Weight 620.6 g/mol
Molecular Formula C32H28O13
Exact Mass 620.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xUNwlHC6hl
Name APIGENIN-7-O-(3''-ACETYL-6''-E-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H28O13
InChI InChI=1S/C32H28O13/c1-16(33)42-31-29(39)26(15-41-27(38)11-4-17-2-7-19(34)8-3-17)45-32(30(31)40)43-21-12-22(36)28-23(37)14-24(44-25(28)13-21)18-5-9-20(35)10-6-18/h2-14,26,29-32,34-36,39-40H,15H2,1H3/b11-4+/t26-,29-,30-,31+,32-/m0/s1
InChIKey PDUDZEVWHZXBNE-NLAHJSNASA-N
Literature Reference Author F.M.HARRAZ,A.T.PEDERSEN,O.M.ANDERSEN,L.VEROTTA,M.TATO
Literature Reference Citation PHYTOCHEM.,43,521(1996)
Literature Reference DOI 10.1016/0031-9422(96)00289-0
Molecular Weight 620.567 g/mol
Solvent DMSO-D6
Source File Reference UWMS2051