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Ethyl (3R,4R,6S,7S)-4-(Dibenzylamino)-3-hydroxy-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)-8-[(p-toluenesulfonyl)oxy]octanoate
SpectraBase Compound ID 8h0cvYrKZaJ
InChI InChI=1S/C36H47NO10S/c1-6-43-32(39)21-30(38)33(37(22-27-13-9-7-10-14-27)23-28-15-11-8-12-16-28)35(44-25-42-5)34-31(46-36(3,4)47-34)24-45-48(40,41)29-19-17-26(2)18-20-29/h7-20,30-31,33-35,38H,6,21-25H2,1-5H3/t30-,31+,33-,34-,35?/m1/s1
InChIKey VTQUJOSWNXYGMP-JSFLKYKESA-N
Mol Weight 685.8 g/mol
Molecular Formula C36H47NO10S
Exact Mass 685.292068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5GsVVSx4Yz
Name Ethyl (3R,4R,6S,7S)-4-(Dibenzylamino)-3-hydroxy-6,7-(isopropylidenedioxy)-5-(methoxymethoxy)-8-[(p-toluenesulfonyl)oxy]octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H47NO10S
InChI InChI=1S/C36H47NO10S/c1-6-43-32(39)21-30(38)33(37(22-27-13-9-7-10-14-27)23-28-15-11-8-12-16-28)35(44-25-42-5)34-31(46-36(3,4)47-34)24-45-48(40,41)29-19-17-26(2)18-20-29/h7-20,30-31,33-35,38H,6,21-25H2,1-5H3/t30-,31+,33-,34-,35?/m1/s1
InChIKey VTQUJOSWNXYGMP-JSFLKYKESA-N
Molecular Weight 685.829 g/mol
SMILES O[C@@]([C@](C([C@]1([C@](COS(c2ccc(cc2)C)(=O)=O)(OC(C)(C)O1)[H])[H])OCOC)(N(Cc1ccccc1)Cc1ccccc1)[H])(CC(=O)OCC)[H]
SPLASH splash10-00vi-0009052000-71c6316de12c9a783f77
Source of Spectrum J-58-57-19
Synonyms Ethyl 2,4-dideoxy-4-(dibenzylamino)-5-O-(methoxymethyl)-6,7-O-(1-methylethylidene)-8-O-[(4-methylphenyl)sulfonyl]-L-gulo-octonate
Wiley ID 1414506