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2-FERULOYL-PISCIDIC-ACID-1-METHYLESTER

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2-FERULOYL-PISCIDIC-ACID-1-METHYLESTER
SpectraBase Compound ID LDka3RebssL
InChI InChI=1S/C22H22O10/c1-30-17-11-13(5-9-16(17)24)6-10-18(25)32-19(20(26)31-2)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23-24,29H,12H2,1-2H3,(H,27,28)/b10-6+/t19-,22+/m1/s1
InChIKey KDWKKKZBMJVTQY-CNYDCXOLSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYmxsTpssYq
Name 2-FERULOYL-PISCIDIC-ACID-1-METHYLESTER
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-30-17-11-13(5-9-16(17)24)6-10-18(25)32-19(20(26)31-2)22(29,21(27)28)12-14-3-7-15(23)8-4-14/h3-11,19,23-24,29H,12H2,1-2H3,(H,27,28)/b10-6+/t19-,22+/m1/s1
InChIKey KDWKKKZBMJVTQY-CNYDCXOLSA-N
Literature Reference Author M.TAKAHIRA,A.KUSANO,M.SHIBANO,G.KUSANO,T.MIYASE
Literature Reference Citation PHYTOCHEM.,49,2115(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00407-5
Molecular Weight 446.411 g/mol
Solvent CD3OD
Source File Reference UWLU861