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6-METHYLHEPTADECANOYL_CAFFEATE
SpectraBase Compound ID dqj7DplmT1
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-12-15-23(2)16-13-11-14-21-31-27(30)20-18-24-17-19-25(28)26(29)22-24/h17-20,22-23,28-29H,3-16,21H2,1-2H3/b20-18+
InChIKey YGVRDOUSXFKIHZ-CZIZESTLSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyNkFY6JrCK
Name 6-METHYLHEPTADECANOYL_CAFFEATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-3-4-5-6-7-8-9-10-12-15-23(2)16-13-11-14-21-31-27(30)20-18-24-17-19-25(28)26(29)22-24/h17-20,22-23,28-29H,3-16,21H2,1-2H3/b20-18+
InChIKey YGVRDOUSXFKIHZ-CZIZESTLSA-N
Literature Reference Author G.RUBERTO,V.AMICO
Literature Reference Citation PLANTA.MED.,65,678(1999)
Literature Reference DOI 10.1055/s-2006-960850
Molecular Weight 432.644 g/mol
Solvent DMSO-D6:CDCl3
Source File Reference UIAP1334