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CALEDONIC_ACID

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CALEDONIC_ACID
SpectraBase Compound ID 3dKwy92uWj6
InChI InChI=1S/C27H38O6/c1-8-9-19(14-20(28)29)21-24-22(23(30)17(6)18(7)33-24)26(32)27(25(21)31,12-10-15(2)3)13-11-16(4)5/h10-11,17-19,32H,8-9,12-14H2,1-7H3,(H,28,29)/t17-,18-,19?/m1/s1
InChIKey QQXZVMNNNKYCKQ-PWCSWUJKSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H38O6
Exact Mass 458.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GtwNDwwDwtc
Name CALEDONIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O6
InChI InChI=1S/C27H38O6/c1-8-9-19(14-20(28)29)21-24-22(23(30)17(6)18(7)33-24)26(32)27(25(21)31,12-10-15(2)3)13-11-16(4)5/h10-11,17-19,32H,8-9,12-14H2,1-7H3,(H,28,29)/t17-,18-,19?/m1/s1
InChIKey QQXZVMNNNKYCKQ-PWCSWUJKSA-N
Literature Reference Author A.HAY,D.GUILET,C.MOREL,G.LARCHER,D.MACHEREL,A.LE_RAY,M.LITAU DON,P.RICHOMME
Literature Reference Citation PLANTA.MED.,69,1130(2003)
Literature Reference DOI 10.1055/s-2003-818004
Molecular Weight 458.595 g/mol
Solvent CDCl3
Source File Reference UIAP2096