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N-(2-Oxohexyl)monamide
SpectraBase Compound ID EUJnMRkXksN
InChI InChI=1S/C23H39NO7/c1-5-6-7-17(26)11-24-20(27)9-13(2)8-18-22(29)21(28)16(12-30-18)10-19-23(31-19)14(3)15(4)25/h9,14-16,18-19,21-23,25,28-29H,5-8,10-12H2,1-4H3,(H,24,27)/b13-9+/t14-,15-,16-,18-,19-,21+,22-,23-/m0/s1
InChIKey LBNOLMVNUAWKMA-BISJYKNMSA-N
Mol Weight 441.6 g/mol
Molecular Formula C23H39NO7
Exact Mass 441.272653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46Yp3C2t9N5
Name N-(2-Oxohexyl)monamide
Alternate Name(s) (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]-2-oxiranyl]methyl]-2-oxanyl]-3-methyl-N-(2-oxohexyl)-2-butenamide (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-N-(2-oxohexyl)but-2-enamide (E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-N-(2-oxohexyl)but-2-enamide (E)-4-[(2S,3R,4R,5S)-3,4-bis(oxidanyl)-5-[[(2S,3S)-3-[(2S,3S)-3-oxidanylbutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methyl-N-(2-oxidanylidenehexyl)but-2-enamide
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Formula C23H39NO7
InChI InChI=1S/C23H39NO7/c1-5-6-7-17(26)11-24-20(27)9-13(2)8-18-22(29)21(28)16(12-30-18)10-19-23(31-19)14(3)15(4)25/h9,14-16,18-19,21-23,25,28-29H,5-8,10-12H2,1-4H3,(H,24,27)/b13-9+/t14-,15-,16-,18-,19-,21+,22-,23-/m0/s1
InChIKey LBNOLMVNUAWKMA-BISJYKNMSA-N
Molecular Weight 441.565 g/mol
SMILES O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C\C(NCC(=O)CCCC)=O)C)[H])[H])[H])[H])(C)[H])(C)[H]
SPLASH splash10-03dj-0900000000-157d66368ed2102b82a3
Source of Spectrum E1-39-450-3
Wiley ID 1598695