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LITHOSPERMIC-ACID
SpectraBase Compound ID 97F9xQFyQy7
InChI InChI=1S/C27H24O12/c28-18-5-1-14(9-21(18)31)11-23(27(36)37)39-25(35)8-4-16-3-7-20(30)26(17(16)12-24(33)34)38-13-15-2-6-19(29)22(32)10-15/h1-10,23,28-32H,11-13H2,(H,33,34)(H,36,37)/b8-4+
InChIKey NUFRUQCBPUSTHT-XBXARRHUSA-N
Mol Weight 540.48 g/mol
Molecular Formula C27H24O12
Exact Mass 540.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCfFerCCOrB
Name LITHOSPERMIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O12
InChI InChI=1S/C27H24O12/c28-18-5-1-14(9-21(18)31)11-23(27(36)37)39-25(35)8-4-16-3-7-20(30)26(17(16)12-24(33)34)38-13-15-2-6-19(29)22(32)10-15/h1-10,23,28-32H,11-13H2,(H,33,34)(H,36,37)/b8-4+
InChIKey NUFRUQCBPUSTHT-XBXARRHUSA-N
Literature Reference Author Y.L.LIN,C.N.WANG,Y.J.SHIAO,T.Y.LIU,W.Y.WANG
Literature Reference Citation J.CHIN.CHEM.SOC.,50,1079(2003)
Literature Reference DOI 10.1002/jccs.200300153
Molecular Weight 540.480 g/mol
Solvent CD3OD
Source File Reference UWLU6719