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Bengamide K

View entire compound with spectra: 1 MS (GC)

Bengamide K
SpectraBase Compound ID IjDAKB3KOPa
InChI InChI=1S/C22H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(26)28-19-15-16-20(23-18-25)22(27)24(2)17-19/h18-20H,3-17H2,1-2H3,(H,23,25)/t19-,20-/m0/s1
InChIKey WSSBADLNJHGESH-PMACEKPBSA-N
Mol Weight 396.6 g/mol
Molecular Formula C22H40N2O4
Exact Mass 396.298808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K3me57KwWE
Name Bengamide K
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H40N2O4
InChI InChI=1S/C22H40N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(26)28-19-15-16-20(23-18-25)22(27)24(2)17-19/h18-20H,3-17H2,1-2H3,(H,23,25)/t19-,20-/m0/s1
InChIKey WSSBADLNJHGESH-PMACEKPBSA-N
Molecular Weight 396.572 g/mol
SMILES N(C=O)[C@@]1(C(N(C[C@@](OC(=O)CCCCCCCCCCCCC)(CC1)[H])C)=O)[H]
SPLASH splash10-00or-0790000000-61bace719c611d7cfba3
Source of Spectrum G4-60-816-8
Synonyms Tetradecanoic acid [(3S,6S)-6-formamido-1-methyl-7-oxo-3-azepanyl] ester [(3S,6S)-6-formamido-1-methyl-7-oxoazepan-3-yl] tetradecanoate [(3S,6S)-6-formamido-1-methyl-7-oxo-azepan-3-yl] tetradecanoate [(3S,6S)-6-formamido-1-methyl-7-oxidanylidene-azepan-3-yl] tetradecanoate
Wiley ID 1606781