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(3S,4R,5R,6S,7S)-1,8-Bis[(p-toluenesulfonyl)oxy]-4-(dibenzylamino)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane
SpectraBase Compound ID KQlzvwPblzN
InChI InChI=1S/C41H51NO11S2/c1-30-16-20-34(21-17-30)54(44,45)50-25-24-36(43)38(42(26-32-12-8-6-9-13-32)27-33-14-10-7-11-15-33)40(49-29-48-5)39-37(52-41(3,4)53-39)28-51-55(46,47)35-22-18-31(2)19-23-35/h6-23,36-40,43H,24-29H2,1-5H3/t36-,37-,38+,39+,40+/m0/s1
InChIKey TZABXXXNKQRENH-IAAQWQSGSA-N
Mol Weight 798.0 g/mol
Molecular Formula C41H51NO11S2
Exact Mass 797.290354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAj0TiImjHO
Name (3S,4R,5R,6S,7S)-1,8-Bis[(p-toluenesulfonyl)oxy]-4-(dibenzylamino)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane
Alternate Name(s) (3S,4R,5R,6S,7S)-1,8-Bis[(p-toluenesulfonyl)oxy]-3-hydroxy-4-(dibenzylamino)-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)octane
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Formula C41H51NO11S2
InChI InChI=1S/C41H51NO11S2/c1-30-16-20-34(21-17-30)54(44,45)50-25-24-36(43)38(42(26-32-12-8-6-9-13-32)27-33-14-10-7-11-15-33)40(49-29-48-5)39-37(52-41(3,4)53-39)28-51-55(46,47)35-22-18-31(2)19-23-35/h6-23,36-40,43H,24-29H2,1-5H3/t36-,37-,38+,39+,40+/m0/s1
InChIKey TZABXXXNKQRENH-IAAQWQSGSA-N
Molecular Weight 797.975 g/mol
SMILES O[C@]([C@@](N(Cc1ccccc1)Cc1ccccc1)([C@]([C@]1([C@](COS(c2ccc(cc2)C)(=O)=O)(OC(C)(C)O1)[H])[H])(OCOC)[H])[H])(CCOS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0a4i-0930000000-dcb43cc70e75095c3afb
Source of Spectrum J-58-60-30
Wiley ID 1417136