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Methyl 2-N-benzylamino-2,3-dideoxy-4,6-O-(phenylmethylene)-3-C-phenylsulfonyl-.alpha.,D-glucopyranoside
SpectraBase Compound ID 397yQlitBfZ
InChI InChI=1S/C27H29NO6S/c1-31-27-23(28-17-19-11-5-2-6-12-19)25(35(29,30)21-15-9-4-10-16-21)24-22(33-27)18-32-26(34-24)20-13-7-3-8-14-20/h2-16,22-28H,17-18H2,1H3/t22-,23-,24-,25-,26?,27+/m1/s1
InChIKey KFZSLTUWCJHHRX-SIUAEXTNSA-N
Mol Weight 495.59 g/mol
Molecular Formula C27H29NO6S
Exact Mass 495.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B23IgdIopbE
Name Methyl 2-N-benzylamino-2,3-dideoxy-4,6-O-(phenylmethylene)-3-C-phenylsulfonyl-.alpha.,D-glucopyranoside
Comments Less than 3 mono-isotopic peaks
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Formula C27H29NO6S
InChI InChI=1S/C27H29NO6S/c1-31-27-23(28-17-19-11-5-2-6-12-19)25(35(29,30)21-15-9-4-10-16-21)24-22(33-27)18-32-26(34-24)20-13-7-3-8-14-20/h2-16,22-28H,17-18H2,1H3/t22-,23-,24-,25-,26?,27+/m1/s1
InChIKey KFZSLTUWCJHHRX-SIUAEXTNSA-N
Molecular Weight 495.590 g/mol
SMILES N([C@@]1([C@@](S(=O)(=O)c2ccccc2)([C@@]2(OC(c3ccccc3)OC[C@]2(O[C@@]1(OC)[H])[H])[H])[H])[H])Cc1ccccc1
SPLASH splash10-0a4i-0009000000-ec7a035f9b79b913b78b
Source of Spectrum KC-57-1096-14
Synonyms methyl 2-(benzylamino)-4,6-O-benzylidene-2,3-dideoxy-3-(phenylsulfonyl)-.alpha.-D-glucopyranoside
Wiley ID 1622787