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Ficulinic acid A

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Ficulinic acid A
SpectraBase Compound ID A5f6PukIBMe
InChI InChI=1S/C26H48O3/c1-3-5-7-9-10-14-18-22-25(27)23-19-15-11-13-17-21-24(26(28)29)20-16-12-8-6-4-2/h18,22,24H,3-17,19-21,23H2,1-2H3,(H,28,29)/b22-18+
InChIKey MZFOIBHOHIMICN-RELWKKBWSA-N
Mol Weight 408.7 g/mol
Molecular Formula C26H48O3
Exact Mass 408.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kx6HrqoUxWd
Name Ficulinic acid A
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H48O3
InChI InChI=1S/C26H48O3/c1-3-5-7-9-10-14-18-22-25(27)23-19-15-11-13-17-21-24(26(28)29)20-16-12-8-6-4-2/h18,22,24H,3-17,19-21,23H2,1-2H3,(H,28,29)/b22-18+
InChIKey MZFOIBHOHIMICN-RELWKKBWSA-N
Molecular Weight 408.667 g/mol
SMILES OC(=O)C(CCCCCCCC(\C=C\CCCCCCC)=O)CCCCCCC
SPLASH splash10-01tc-3951000000-37c18cf4b5d25c5c3382
Source of Spectrum X2-49-308-1
Synonyms (E)-2-heptyl-10-keto-nonadec-11-enoic acid (E)-2-heptyl-10-oxidanylidene-nonadec-11-enoic acid (E)-2-heptyl-10-oxo-11-nonadecenoic acid (E)-2-heptyl-10-oxo-nonadec-11-enoic acid
Wiley ID 1601886