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PICRORHIZA-ACID;(3S,3AS,4R)-3-(CARBOXYMETHYL)-2,3,3A,6-TETRAHYDRO-8,9-DIHYDROXY-2,6-DIOXO-4H-PYRANO-[3,4,5-DE]-[1]-BENZOPYRAN-4-CARBOXYLIC-ACID
SpectraBase Compound ID BkgmEKJRAR5
InChI InChI=1S/C14H10O10/c15-5-1-3-7-8(11(12(19)20)24-13(3)21)4(2-6(16)17)14(22)23-10(7)9(5)18/h1,4,8,11,15,18H,2H2,(H,16,17)(H,19,20)/t4-,8-,11+/m0/s1
InChIKey AICGFRCCDNYPLV-YPDKWQGDSA-N
Mol Weight 338.22 g/mol
Molecular Formula C14H10O10
Exact Mass 338.027397 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZLMIiSZDA5
Name PICRORHIZA-ACID;(3S,3AS,4R)-3-(CARBOXYMETHYL)-2,3,3A,6-TETRAHYDRO-8,9-DIHYDROXY-2,6-DIOXO-4H-PYRANO-[3,4,5-DE]-[1]-BENZOPYRAN-4-CARBOXYLIC-ACID
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10O10
InChI InChI=1S/C14H10O10/c15-5-1-3-7-8(11(12(19)20)24-13(3)21)4(2-6(16)17)14(22)23-10(7)9(5)18/h1,4,8,11,15,18H,2H2,(H,16,17)(H,19,20)/t4-,8-,11+/m0/s1
InChIKey AICGFRCCDNYPLV-YPDKWQGDSA-N
Literature Reference Author Y.ZHANG,D.L.DEWITT,S.MURUGESAN,M.G.NAIR
Literature Reference Citation CHEM.BIODIV.,1,426(2004)
Literature Reference DOI 10.1002/cbdv.200490036
Molecular Weight 338.227 g/mol
Solvent CD3OD
Source File Reference UWLU21631