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(3S,4R,5R,6S,7S)-3-Acetoxy-4-[(benzyloxy)carbonyl]amino]-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane-1,8-diol

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(3S,4R,5R,6S,7S)-3-Acetoxy-4-[(benzyloxy)carbonyl]amino]-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane-1,8-diol
SpectraBase Compound ID 6ISIHu4caq5
InChI InChI=1S/C23H35NO10/c1-15(27)32-17(10-11-25)19(24-22(28)30-13-16-8-6-5-7-9-16)21(31-14-29-4)20-18(12-26)33-23(2,3)34-20/h5-9,17-21,25-26H,10-14H2,1-4H3,(H,24,28)/t17-,18-,19+,20+,21+/m0/s1
InChIKey ZCFNDSHTSRRQOE-WRTQPQOASA-N
Mol Weight 485.5 g/mol
Molecular Formula C23H35NO10
Exact Mass 485.226096 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 642MoEYDW52
Name (3S,4R,5R,6S,7S)-3-Acetoxy-4-[(benzyloxy)carbonyl]amino]-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane-1,8-diol
Alternate Name(s) 3-O-acetyl-4-{[(benzyloxy)carbonyl]amino}-2,4-dideoxy-5-O-(methoxymethyl)-6,7-O-(1-methylethylidene)-L-glycero-D-galacto-octitol Acetic acid[(1R,2R,3S)-5-hydroxy-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)pentan-3-yl]ester Acetic acid[(1S,2R,3R)-2-(benzyloxycarbonylamino)-3-[(4S,5S)-2,2-dimethyl-5-methylol-1,3-dioxolan-4-yl]-1-(2-hydroxyethyl)-3-(methoxymethoxy)propyl]ester [(1R,2R,3S)-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-5-oxidanyl-2-(phenylmethoxycarbonylamino)pentan-3-yl]ethanoate [(1R,2R,3S)-5-hydroxy-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)pentan-3-yl]acetate [(1S,2R,3R)-2-(benzyloxycarbonylamino)-1-(2-hydroxyethyl)-3-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propyl]acetate Acetic acid [(1R,2R,3S)-5-hydroxy-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)pentan-3-yl] ester [(1R,2R,3S)-5-hydroxy-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-2-(phenylmethoxycarbonylamino)pentan-3-yl] acetate [(1S,2R,3R)-2-(benzyloxycarbonylamino)-1-(2-hydroxyethyl)-3-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)propyl] acetate [(1R,2R,3S)-1-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(methoxymethoxy)-5-oxidanyl-2-(phenylmethoxycarbonylamino)pentan-3-yl] ethanoate
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Formula C23H35NO10
InChI InChI=1S/C23H35NO10/c1-15(27)32-17(10-11-25)19(24-22(28)30-13-16-8-6-5-7-9-16)21(31-14-29-4)20-18(12-26)33-23(2,3)34-20/h5-9,17-21,25-26H,10-14H2,1-4H3,(H,24,28)/t17-,18-,19+,20+,21+/m0/s1
InChIKey ZCFNDSHTSRRQOE-WRTQPQOASA-N
Molecular Weight 485.530 g/mol
SMILES N([C@]([C@](CCO)(OC(=O)C)[H])([C@]([C@@]1(OC(C)(C)O[C@]1(CO)[H])[H])(OCOC)[H])[H])C(=O)OCc1ccccc1
SPLASH splash10-05qi-0980000000-850c59b77f6e962a6d20
Source of Spectrum J-58-61-34
Wiley ID 1396252