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(1S,2R,3S,4S,6S)-6-Acetamido-4-(acetoxymethyl)-4-hydroxycyclohexane-1,2,3-triyl triacetate (penta-N,O-acetylvaliolamine)
SpectraBase Compound ID EVB9sQzQHvx
InChI InChI=1S/C17H25NO10/c1-8(19)18-13-6-17(24,7-25-9(2)20)16(28-12(5)23)15(27-11(4)22)14(13)26-10(3)21/h13-16,24H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15+,16-,17-/m0/s1
InChIKey GQRYOZDCHFULGY-KSWRQPAISA-N
Mol Weight 403.38 g/mol
Molecular Formula C17H25NO10
Exact Mass 403.147846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3HyT4fPrTm
Name (1S,2R,3S,4S,6S)-6-Acetamido-4-(acetoxymethyl)-4-hydroxycyclohexane-1,2,3-triyl triacetate (penta-N,O-acetylvaliolamine)
Alternate Name(s) (1S,2R,3S,4S,6S)-6-acetamido-4-(acetoxymethyl)-4-hydroxycyclohexane-1,2,3-triyl triacetate Acetic acid [(1S,2S,3R,4S,5S)-5-acetamido-2,3,4-triacetyloxy-1-hydroxycyclohexyl]methyl ester [(1S,2S,3R,4S,5S)-5-acetamido-2,3,4-triacetyloxy-1-hydroxycyclohexyl]methyl acetate [(1S,2S,3R,4S,5S)-5-acetamido-2,3,4-triacetoxy-1-hydroxy-cyclohexyl]methyl acetate [(1S,2S,3R,4S,5S)-5-acetamido-2,3,4-triacetyloxy-1-oxidanyl-cyclohexyl]methyl ethanoate
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Formula C17H25NO10
InChI InChI=1S/C17H25NO10/c1-8(19)18-13-6-17(24,7-25-9(2)20)16(28-12(5)23)15(27-11(4)22)14(13)26-10(3)21/h13-16,24H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15+,16-,17-/m0/s1
InChIKey GQRYOZDCHFULGY-KSWRQPAISA-N
Molecular Weight 403.384 g/mol
SMILES O[C@]1([C@]([C@@]([C@]([C@](C1)(NC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])COC(=O)C
SPLASH splash10-04i6-9992200000-de6806e41bf4a56c39bd
Source of Spectrum F-69-7036-13
Wiley ID 1738456