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3,4-DI-O-3-(4-HYDROXYPHENYL)-PROPIONYL-1,4-DIHYDROXY-CYCLOHEXAN-CARBOXYLIC-ACID

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3,4-DI-O-3-(4-HYDROXYPHENYL)-PROPIONYL-1,4-DIHYDROXY-CYCLOHEXAN-CARBOXYLIC-ACID
SpectraBase Compound ID 53StB4tqqfa
InChI InChI=1S/C25H28O10/c26-17-7-1-15(2-8-17)5-11-21(28)34-19-13-25(33,24(31)32)14-20(23(19)30)35-22(29)12-6-16-3-9-18(27)10-4-16/h1-4,7-10,19-20,23,26-27,30,33H,5-6,11-14H2,(H,31,32)/t19-,20-,23-,25+/m1/s1
InChIKey NQPMEHQEMJFIFM-BBLPPJRLSA-N
Mol Weight 488.49 g/mol
Molecular Formula C25H28O10
Exact Mass 488.168247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxqR1UHTlwx
Name 3,4-DI-O-3-(4-HYDROXYPHENYL)-PROPIONYL-1,4-DIHYDROXY-CYCLOHEXAN-CARBOXYLIC-ACID
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28O10
InChI InChI=1S/C25H28O10/c26-17-7-1-15(2-8-17)5-11-21(28)34-19-13-25(33,24(31)32)14-20(23(19)30)35-22(29)12-6-16-3-9-18(27)10-4-16/h1-4,7-10,19-20,23,26-27,30,33H,5-6,11-14H2,(H,31,32)/t19-,20-,23-,25+/m1/s1
InChIKey NQPMEHQEMJFIFM-BBLPPJRLSA-N
Literature Reference Author M.S.BUCHANAN,A.R.CARROLL,A.EDSER,J.PARISOT,R.ADDEPALLI,R.J.Q UINN
Literature Reference Citation PHYTOCHEM.,66,481(2005)
Literature Reference DOI 10.1016/j.phytochem.2004.12.022
Molecular Weight 488.491 g/mol
Solvent DMSO-D6
Source File Reference UWVN29725