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(2R,3R,4S,5R)-2-methoxy-8-methyl-3,5-bis(oxidanyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-phenylmethoxy-non-6-ynamide
SpectraBase Compound ID 9wqYYuUz6UA
InChI InChI=1S/C24H34N2O6/c1-16(2)12-13-19(27)21(32-15-17-9-5-4-6-10-17)20(28)22(31-3)24(30)26-18-11-7-8-14-25-23(18)29/h4-6,9-10,16,18-22,27-28H,7-8,11,14-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,19+,20+,21-,22+/m0/s1
InChIKey BQFFFVPHYVTLNF-AHJNKEMKSA-N
Mol Weight 446.5 g/mol
Molecular Formula C24H34N2O6
Exact Mass 446.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwV8mx3CMtw
Name (2R,3R,4S,5R)-2-methoxy-8-methyl-3,5-bis(oxidanyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-4-phenylmethoxy-non-6-ynamide
Alternate Name(s) (2R,3R,4S,5R)-3,5-dihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxo-3-azepanyl]-4-phenylmethoxy-6-nonynamide (2R,3R,4S,5R)-3,5-dihydroxy-2-methoxy-8-methyl-N-[(3S)-2-oxoazepan-3-yl]-4-phenylmethoxynon-6-ynamide (2R,3R,4S,5R)-4-benzoxy-3,5-dihydroxy-N-[(3S)-2-ketoazepan-3-yl]-2-methoxy-8-methyl-non-6-ynamide
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Formula C24H34N2O6
InChI InChI=1S/C24H34N2O6/c1-16(2)12-13-19(27)21(32-15-17-9-5-4-6-10-17)20(28)22(31-3)24(30)26-18-11-7-8-14-25-23(18)29/h4-6,9-10,16,18-22,27-28H,7-8,11,14-15H2,1-3H3,(H,25,29)(H,26,30)/t18-,19+,20+,21-,22+/m0/s1
InChIKey BQFFFVPHYVTLNF-AHJNKEMKSA-N
Molecular Weight 446.544 g/mol
SMILES O[C@@]([C@@]([C@]([C@](C(N[C@@]1(C(NCCCC1)=O)[H])=O)(OC)[H])(O)[H])(OCc1ccccc1)[H])(C#CC(C)C)[H]
SPLASH splash10-0006-9453000000-cc0e25980134cd7c39c2
Source of Spectrum J-60-5918-48
Wiley ID 1386619