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Methyl 10-(benzoyloxy)docosa-7,11,13,16,19-pentaenoate

View entire compound with spectra: 1 MS (GC)

Methyl 10-(benzoyloxy)docosa-7,11,13,16,19-pentaenoate
SpectraBase Compound ID CWPjYG3chn2
InChI InChI=1S/C30H40O4/c1-3-4-5-6-7-8-9-10-13-19-24-28(34-30(32)27-22-17-16-18-23-27)25-20-14-11-12-15-21-26-29(31)33-2/h4-5,7-8,10,13-14,16-20,22-24,28H,3,6,9,11-12,15,21,25-26H2,1-2H3/b5-4+,8-7-,13-10+,20-14+,24-19+/t28-/m0/s1
InChIKey GEPXKNPZBXUBSJ-RDDHISEPSA-N
Mol Weight 464.6 g/mol
Molecular Formula C30H40O4
Exact Mass 464.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Vyh5EEOFbX
Name Methyl 10-(benzoyloxy)docosa-7,11,13,16,19-pentaenoate
Alternate Name(s) (2E,4E,7E,10E)-1-[(2E)-9-methoxy-9-oxo-2-nonenyl]-2,4,7,10-tridecatetraenyl benzoate Benzoic acid (2E,4E,7Z,10E)-(R)-1-((E)-8-methoxycarbonyl-oct-2-enyl)-trideca-2,4,7,10-tetraenyl ester
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Formula C30H40O4
InChI InChI=1S/C30H40O4/c1-3-4-5-6-7-8-9-10-13-19-24-28(34-30(32)27-22-17-16-18-23-27)25-20-14-11-12-15-21-26-29(31)33-2/h4-5,7-8,10,13-14,16-20,22-24,28H,3,6,9,11-12,15,21,25-26H2,1-2H3/b5-4+,8-7-,13-10+,20-14+,24-19+/t28-/m0/s1
InChIKey GEPXKNPZBXUBSJ-RDDHISEPSA-N
Molecular Weight 464.646 g/mol
SMILES C(O[C@@](\C=C\C=C\C\C=C/C\C=C\CC)(C\C=C\CCCCCC(=O)OC)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-5bec6690464eee0b7532
Source of Spectrum H-82-683-1
Wiley ID 815503