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Ficulinic acid B

View entire compound with spectra: 1 MS (GC)

Ficulinic acid B
SpectraBase Compound ID 2x07QKjHXGM
InChI InChI=1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+
InChIKey LMKTZOYZOYTOMH-HIXSDJFHSA-N
Mol Weight 436.7 g/mol
Molecular Formula C28H52O3
Exact Mass 436.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuKZzAZNBS0
Name Ficulinic acid B
Alternate Name(s) (E)-2-heptyl-12-keto-heneicos-13-enoic acid (E)-2-heptyl-12-oxidanylidene-henicos-13-enoic acid (E)-2-heptyl-12-oxo-13-heneicosenoic acid (E)-2-heptyl-12-oxo-henicos-13-enoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H52O3
InChI InChI=1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+
InChIKey LMKTZOYZOYTOMH-HIXSDJFHSA-N
Molecular Weight 436.721 g/mol
SMILES OC(=O)C(CCCCCCCCCC(\C=C\CCCCCCC)=O)CCCCCCC
SPLASH splash10-0uxv-1794100000-dc3f1333f5c32ce880d4
Source of Spectrum X2-49-309-2
Wiley ID 1601885