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(R)-2-CAFFEOYLOXY-3-[2-(4-HYDROXYBENZYL)-4,5-DIHYDROXY]-PHENYL-PROPIONIC-ACID
SpectraBase Compound ID H9DjcXXsXpS
InChI InChI=1S/C25H22O9/c26-18-5-1-14(2-6-18)9-16-11-21(29)22(30)12-17(16)13-23(25(32)33)34-24(31)8-4-15-3-7-19(27)20(28)10-15/h1-8,10-12,23,26-30H,9,13H2,(H,32,33)/b8-4+/t23-/m1/s1
InChIKey VEFHLJVWVYSIQK-VURDRKPISA-N
Mol Weight 466.44 g/mol
Molecular Formula C25H22O9
Exact Mass 466.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Cxjp7W8cCq
Name (R)-2-CAFFEOYLOXY-3-[2-(4-HYDROXYBENZYL)-4,5-DIHYDROXY]-PHENYL-PROPIONIC-ACID
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22O9
InChI InChI=1S/C25H22O9/c26-18-5-1-14(2-6-18)9-16-11-21(29)22(30)12-17(16)13-23(25(32)33)34-24(31)8-4-15-3-7-19(27)20(28)10-15/h1-8,10-12,23,26-30H,9,13H2,(H,32,33)/b8-4+/t23-/m1/s1
InChIKey VEFHLJVWVYSIQK-VURDRKPISA-N
Literature Reference Author H.KIKUZAKI,N.NAKATANI
Literature Reference Citation AGR.BIOL.CHEM.,53,519(1989)
Literature Reference DOI 10.1271/bbb1961.53.519
Molecular Weight 466.444 g/mol
Solvent CD3OD
Source File Reference UWIR7647