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METHYL_8-ALPHA-(Z-2-HYDROXYMETHYL-4-ACETOXYBUT-2-ENOYLOXY)-6-ALPHA,15-DIHYDROXYELEMA-1,3,11-(13)-TRIEN-12-OATE
SpectraBase Compound ID 1MbYZMu6UvW
InChI InChI=1S/C23H32O9/c1-7-23(5)10-17(32-22(29)16(12-25)8-9-31-15(4)26)18(14(3)21(28)30-6)20(27)19(23)13(2)11-24/h7-8,17-20,24-25,27H,1-3,9-12H2,4-6H3/b16-8-/t17-,18+,19+,20-,23+/m0/s1
InChIKey IWDKJDOUWOTZPS-UPUSNDMNSA-N
Mol Weight 452.5 g/mol
Molecular Formula C23H32O9
Exact Mass 452.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bzvvo1NsLax
Name METHYL_8-ALPHA-(Z-2-HYDROXYMETHYL-4-ACETOXYBUT-2-ENOYLOXY)-6-ALPHA,15-DIHYDROXYELEMA-1,3,11-(13)-TRIEN-12-OATE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O9
InChI InChI=1S/C23H32O9/c1-7-23(5)10-17(32-22(29)16(12-25)8-9-31-15(4)26)18(14(3)21(28)30-6)20(27)19(23)13(2)11-24/h7-8,17-20,24-25,27H,1-3,9-12H2,4-6H3/b16-8-/t17-,18+,19+,20-,23+/m0/s1
InChIKey IWDKJDOUWOTZPS-UPUSNDMNSA-N
Literature Reference Author J.A.MARCO,J.F.SANZ-CERVERA,A.YUSTE,F.SANCENON,M.CARDA
Literature Reference Citation PHYTOCHEM.,66,1644(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.06.004
Molecular Weight 452.502 g/mol
Sample ID 26549
Solvent CDCl3