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ACE-SD1;6-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYL)-7-PHENYL-HEPT-6-ENOIC_ACID
SpectraBase Compound ID 89vG29JAMUV
InChI InChI=1S/C26H30O6/c1-16-17(2)26(32-20(5)28)24(18(3)25(16)31-19(4)27)22(13-9-10-14-23(29)30)15-21-11-7-6-8-12-21/h6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,29,30)/b22-15+
InChIKey FRVUKLMKICKZIJ-PXLXIMEGSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86ZkWB15EA3
Name ACE-SD1;6-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYL)-7-PHENYL-HEPT-6-ENOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-16-17(2)26(32-20(5)28)24(18(3)25(16)31-19(4)27)22(13-9-10-14-23(29)30)15-21-11-7-6-8-12-21/h6-8,11-12,15H,9-10,13-14H2,1-5H3,(H,29,30)/b22-15+
InChIKey FRVUKLMKICKZIJ-PXLXIMEGSA-N
Literature Reference Author J.XU,Y.ZHANG,Y.HU
Literature Reference Citation J.PHARM.BIOM.ANAL.,48,78(2008)
Literature Reference DOI 10.1016/j.jpba.2008.05.002
Molecular Weight 438.521 g/mol
Solvent CDCl3
Source File Reference UWMZ44282