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4,5,6,8-Tetra-O-benzyl-3-O-benzyloxycarbonyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol

View entire compound with spectra: 1 MS (GC)

4,5,6,8-Tetra-O-benzyl-3-O-benzyloxycarbonyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
SpectraBase Compound ID 7Hr2Rjb3jKY
InChI InChI=1S/C50H48O8/c51-45(38-53-33-40-21-9-2-10-22-40)47(54-34-41-23-11-3-12-24-41)49(56-36-43-27-15-5-16-28-43)48(55-35-42-25-13-4-14-26-42)46(32-31-39-19-7-1-8-20-39)58-50(52)57-37-44-29-17-6-18-30-44/h1-30,45-49,51H,33-38H2/t45-,46-,47-,48+,49+/m1/s1
InChIKey WZDPTATXXDKFFA-IFDRYBKASA-N
Mol Weight 776.9 g/mol
Molecular Formula C50H48O8
Exact Mass 776.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DFzCHFJf6aK
Name 4,5,6,8-Tetra-O-benzyl-3-O-benzyloxycarbonyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H48O8
InChI InChI=1S/C50H48O8/c51-45(38-53-33-40-21-9-2-10-22-40)47(54-34-41-23-11-3-12-24-41)49(56-36-43-27-15-5-16-28-43)48(55-35-42-25-13-4-14-26-42)46(32-31-39-19-7-1-8-20-39)58-50(52)57-37-44-29-17-6-18-30-44/h1-30,45-49,51H,33-38H2/t45-,46-,47-,48+,49+/m1/s1
InChIKey WZDPTATXXDKFFA-IFDRYBKASA-N
Molecular Weight 776.926 g/mol
SMILES O[C@@]([C@]([C@@]([C@]([C@@](C#Cc1ccccc1)(OC(=O)OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H]
SPLASH splash10-000x-9820000000-2b6af60853853550a171
Source of Spectrum KC-57-4735-4
Wiley ID 1624283