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(1R,2R,3S,4S,5S)-1-Azido-2,4,5-triacetyl-3-O-benzyl-5-((benzyloxy)methyl)cyclohexane-2,3,4,5-tetrol
SpectraBase Compound ID KzhQluQzvtL
InChI InChI=1S/C27H31N3O8/c1-18(31)36-24-23(29-30-28)14-27(38-20(3)33,17-34-15-21-10-6-4-7-11-21)26(37-19(2)32)25(24)35-16-22-12-8-5-9-13-22/h4-13,23-26H,14-17H2,1-3H3/t23-,24-,25-,26+,27+/m1/s1
InChIKey HEVVVYUZOSSQCE-XCRFIODOSA-N
Mol Weight 525.56 g/mol
Molecular Formula C27H31N3O8
Exact Mass 525.211115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75I9zDRkE0G
Name (1R,2R,3S,4S,5S)-1-Azido-2,4,5-triacetyl-3-O-benzyl-5-((benzyloxy)methyl)cyclohexane-2,3,4,5-tetrol
Comments Less than 3 mono-isotopic peaks
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Formula C27H31N3O8
InChI InChI=1S/C27H31N3O8/c1-18(31)36-24-23(29-30-28)14-27(38-20(3)33,17-34-15-21-10-6-4-7-11-21)26(37-19(2)32)25(24)35-16-22-12-8-5-9-13-22/h4-13,23-26H,14-17H2,1-3H3/t23-,24-,25-,26+,27+/m1/s1
InChIKey HEVVVYUZOSSQCE-XCRFIODOSA-N
Molecular Weight 525.558 g/mol
SMILES [C@]1([C@]([C@](OCc2ccccc2)([C@@]([C@@](C1)(N=[N+]=[N-])[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)COCc1ccccc1
SPLASH splash10-00di-0009100000-a65ca1816331ea0b9385
Source of Spectrum J-61-8479-41
Wiley ID 1402673