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4,5,6,8-Tetra-O-benzyl-3-O-benzoyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
SpectraBase Compound ID 8lT7uDl5oXD
InChI InChI=1S/C49H46O7/c50-44(37-52-33-39-21-9-2-10-22-39)46(53-34-40-23-11-3-12-24-40)48(55-36-42-27-15-5-16-28-42)47(54-35-41-25-13-4-14-26-41)45(32-31-38-19-7-1-8-20-38)56-49(51)43-29-17-6-18-30-43/h1-30,44-48,50H,33-37H2/t44-,45-,46-,47+,48+/m1/s1
InChIKey YIEARJRFZYAHFW-YNQMAJBQSA-N
Mol Weight 746.9 g/mol
Molecular Formula C49H46O7
Exact Mass 746.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mSepYrrcMj
Name 4,5,6,8-Tetra-O-benzyl-3-O-benzoyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
Alternate Name(s) 6-O-benzoyl-1,3,4,5-tetra-O-benzyl-7,8-dideoxy-8-phenyl-D-glycero-L-gulo-oct-7-ynitol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H46O7
InChI InChI=1S/C49H46O7/c50-44(37-52-33-39-21-9-2-10-22-39)46(53-34-40-23-11-3-12-24-40)48(55-36-42-27-15-5-16-28-42)47(54-35-41-25-13-4-14-26-41)45(32-31-38-19-7-1-8-20-38)56-49(51)43-29-17-6-18-30-43/h1-30,44-48,50H,33-37H2/t44-,45-,46-,47+,48+/m1/s1
InChIKey YIEARJRFZYAHFW-YNQMAJBQSA-N
Molecular Weight 746.900 g/mol
SMILES O[C@@]([C@]([C@@]([C@]([C@@](C#Cc1ccccc1)(OC(=O)c1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H]
SPLASH splash10-000x-9620000000-b556d265430b6fb8931b
Source of Spectrum KC-57-4735-5
Wiley ID 1624282