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syn-4,5,6,8-Tetra-O-benzyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
SpectraBase Compound ID 5yLLnH4UYVP
InChI InChI=1S/C42H42O6/c43-38(27-26-33-16-6-1-7-17-33)40(46-29-35-20-10-3-11-21-35)42(48-31-37-24-14-5-15-25-37)41(47-30-36-22-12-4-13-23-36)39(44)32-45-28-34-18-8-2-9-19-34/h1-25,38-44H,28-32H2/t38-,39-,40+,41-,42-/m1/s1
InChIKey QNWWGJDRVXGSNP-QBLDGPCBSA-N
Mol Weight 642.8 g/mol
Molecular Formula C42H42O6
Exact Mass 642.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmoDFtOiOK9
Name syn-4,5,6,8-Tetra-O-benzyl-1,2-dideoxy-1-phenyl-D-glycero-D-ido-oct-1-ynitol
Alternate Name(s) 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 C42H42O6
InChI InChI=1S/C42H42O6/c43-38(27-26-33-16-6-1-7-17-33)40(46-29-35-20-10-3-11-21-35)42(48-31-37-24-14-5-15-25-37)41(47-30-36-22-12-4-13-23-36)39(44)32-45-28-34-18-8-2-9-19-34/h1-25,38-44H,28-32H2/t38-,39-,40+,41-,42-/m1/s1
InChIKey QNWWGJDRVXGSNP-QBLDGPCBSA-N
Molecular Weight 642.792 g/mol
SMILES O[C@@]([C@]([C@@]([C@]([C@@](C#Cc1ccccc1)(O)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H]
SPLASH splash10-000x-6920000000-3df6f90e1806772db905
Source of Spectrum KC-57-4735-3
Wiley ID 1624284