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30-Oxotriacontyl (E)-ferulate
SpectraBase Compound ID AG8VjnNHPb
InChI InChI=1S/C40H68O5/c1-44-39-36-37(30-32-38(39)42)31-33-40(43)45-35-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-34-41/h30-34,36,42H,2-29,35H2,1H3/b33-31+
InChIKey BACMRFWQUQRLFC-QOSDPKFLSA-N
Mol Weight 629.0 g/mol
Molecular Formula C40H68O5
Exact Mass 628.506675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbRsJUDgmHV
Name 30-Oxotriacontyl (E)-ferulate
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H68O5
InChI InChI=1S/C40H68O5/c1-44-39-36-37(30-32-38(39)42)31-33-40(43)45-35-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-34-41/h30-34,36,42H,2-29,35H2,1H3/b33-31+
InChIKey BACMRFWQUQRLFC-QOSDPKFLSA-N
Instrument Name ThermoFinnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.5b00691
Molecular Weight 628.979 g/mol
Reported Formula C40H68O5
SMILES Oc1c(cc(cc1)\C=C\C(OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)=O)OC
SPLASH splash10-004i-0900024000-b77d6d28fcb53dcc1d02
Source of Spectrum G4-79-772-7
Wiley ID 1849283