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D-glycero-L-gulo-Heptitol, 2,6-anhydro-1,3,4,5,7-pentakis-O-(phenylmethyl)-
SpectraBase Compound ID 2Ct8eQkSlIU
InChI InChI=1S/C42H44O6/c1-6-16-33(17-7-1)26-43-31-38-40(45-28-35-20-10-3-11-21-35)42(47-30-37-24-14-5-15-25-37)41(46-29-36-22-12-4-13-23-36)39(48-38)32-44-27-34-18-8-2-9-19-34/h1-25,38-42H,26-32H2
InChIKey OCODLFVODNLJAD-UHFFFAOYSA-N
Mol Weight 644.8 g/mol
Molecular Formula C42H44O6
Exact Mass 644.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J35lANETO0
Name D-glycero-L-gulo-Heptitol, 2,6-anhydro-1,3,4,5,7-pentakis-O-(phenylmethyl)-
Alternate Name(s) 1,3,4,5,7-Penta-O-benzyl-2,6-anhydro-D-glycero-L-gulo-hepitol 3,4,5-tris(benzyloxy)-2,6-bis[(benzyloxy)methyl]oxane
CAS Registry Number 113889-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H44O6
InChI InChI=1S/C42H44O6/c1-6-16-33(17-7-1)26-43-31-38-40(45-28-35-20-10-3-11-21-35)42(47-30-37-24-14-5-15-25-37)41(46-29-36-22-12-4-13-23-36)39(48-38)32-44-27-34-18-8-2-9-19-34/h1-25,38-42H,26-32H2
InChIKey OCODLFVODNLJAD-UHFFFAOYSA-N
Molecular Weight 644.808 g/mol
SMILES C1(C(C(COCc2ccccc2)OC(C1OCc1ccccc1)COCc1ccccc1)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0a6r-0900000000-a6217cab85cc67ac610c
Source of Spectrum C-110-2504-11
Wiley ID 1412858