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tert-Butyl 5,6,7,9-tert-O-benzyl-2,3-dideoxy-2-methylidene-.alpha.-D-gluco-4,8-pyranoso-non-4-ulosonate
SpectraBase Compound ID Bl6OqRLSlBv
InChI InChI=1S/C42H48O8/c1-31(40(43)50-41(2,3)4)25-42(44)39(48-29-35-23-15-8-16-24-35)38(47-28-34-21-13-7-14-22-34)37(46-27-33-19-11-6-12-20-33)36(49-42)30-45-26-32-17-9-5-10-18-32/h5-24,36-39,44H,1,25-30H2,2-4H3/t36-,37-,38+,39-,42+/m1/s1
InChIKey QCJPLUZXBVYQRE-FLARYXGDSA-N
Mol Weight 680.8 g/mol
Molecular Formula C42H48O8
Exact Mass 680.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tub1pxAtdW
Name tert-Butyl 5,6,7,9-tetra-O-benzyl-2,3-dideoxy-2-methylidene-.alpha.-D-manno-4,8-pyranoso-non-4-ulosonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H48O8
InChI InChI=1S/C42H48O8/c1-31(40(43)50-41(2,3)4)25-42(44)39(48-29-35-23-15-8-16-24-35)38(47-28-34-21-13-7-14-22-34)37(46-27-33-19-11-6-12-20-33)36(49-42)30-45-26-32-17-9-5-10-18-32/h5-24,36-39,44H,1,25-30H2,2-4H3/t36-,37-,38+,39-,42+/m1/s1
InChIKey QCJPLUZXBVYQRE-FLARYXGDSA-N
Molecular Weight 680.838 g/mol
SMILES O[C@@]1([C@@]([C@]([C@](OCc2ccccc2)([C@](O1)(COCc1ccccc1)[H])[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])CC(C(OC(C)(C)C)=O)=C
SPLASH splash10-0006-9000000000-2afb474c5684d683a9a8
Source of Spectrum F-52-9766-10
Wiley ID 797626