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(3S,4R,5R,6S,7S)-3-Acetoxy-4-(Dibenzylamino)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane-1,3,8-triol
SpectraBase Compound ID DuoXPT9v62q
InChI InChI=1S/C27H39NO7/c1-27(2)34-23(18-30)25(35-27)26(33-19-32-3)24(22(31)14-15-29)28(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,22-26,29-31H,14-19H2,1-3H3/t22-,23-,24+,25+,26+/m0/s1
InChIKey NBSLFURYSWFXNZ-FZPKUJNRSA-N
Mol Weight 489.6 g/mol
Molecular Formula C27H39NO7
Exact Mass 489.272653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaXjKUawxKy
Name (3S,4R,5R,6S,7S)-3-Acetoxy-4-(Dibenzylamino)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane-1,3,8-triol
Alternate Name(s) (3S,4R,5R)-4-Dibenzylamino-5-((4S,5S)-5-hydroxymethyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-5-methoxymethoxy-pentane-1,3-diol
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Formula C27H39NO7
InChI InChI=1S/C27H39NO7/c1-27(2)34-23(18-30)25(35-27)26(33-19-32-3)24(22(31)14-15-29)28(16-20-10-6-4-7-11-20)17-21-12-8-5-9-13-21/h4-13,22-26,29-31H,14-19H2,1-3H3/t22-,23-,24+,25+,26+/m0/s1
InChIKey NBSLFURYSWFXNZ-FZPKUJNRSA-N
Molecular Weight 489.609 g/mol
SMILES OCC[C@@]([C@@](N(Cc1ccccc1)Cc1ccccc1)([C@]([C@@]1(OC(C)(C)O[C@]1(CO)[H])[H])(OCOC)[H])[H])(O)[H]
SPLASH splash10-001i-0390000000-e8bd52eaf4e8de203df5
Source of Spectrum J-58-60-29
Wiley ID 1397073