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Bengamide E
SpectraBase Compound ID 8GQ92KMKOvF
InChI InChI=1S/C17H30N2O6/c1-10(2)7-8-12(20)13(21)14(22)15(25-3)17(24)19-11-6-4-5-9-18-16(11)23/h7-8,10-15,20-22H,4-6,9H2,1-3H3,(H,18,23)(H,19,24)/b8-7+/t11-,12+,13-,14+,15+/m0/s1
InChIKey QBOZJYBWSKZELU-XMBAGFDESA-N
Mol Weight 358.44 g/mol
Molecular Formula C17H30N2O6
Exact Mass 358.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MUcYn4r6bG
Name (6E)-6,7,8,9-Tetradeoxy-N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-8-methyl-2-O-methyl-L-gulonon-6-enoamide
Alternate Name(s) (E,2R,3R,4S,5R)-2-methoxy-8-methyl-3,4,5-tris(oxidanyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]non-6-enamide (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxo-3-azepanyl]-6-nonenamide (E,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]non-6-enamide (E,2R,3R,4S,5R)-3,4,5-trihydroxy-N-[(3S)-2-ketoazepan-3-yl]-2-methoxy-8-methyl-non-6-enamide
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Formula C17H30N2O6
InChI InChI=1S/C17H30N2O6/c1-10(2)7-8-12(20)13(21)14(22)15(25-3)17(24)19-11-6-4-5-9-18-16(11)23/h7-8,10-15,20-22H,4-6,9H2,1-3H3,(H,18,23)(H,19,24)/b8-7+/t11-,12+,13-,14+,15+/m0/s1
InChIKey QBOZJYBWSKZELU-XMBAGFDESA-N
Molecular Weight 358.435 g/mol
SMILES O[C@@]([C@@]([C@]([C@](C(N[C@@]1(C(NCCCC1)=O)[H])=O)(OC)[H])(O)[H])(O)[H])(\C=C\C(C)C)[H]
SPLASH splash10-0r0u-3970000000-42e20a7aca061598f2e9
Source of Spectrum J-60-5918-10
Wiley ID 1346884