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D-Glucitol, 3,6-anhydro-4,5-O-(1-methylethylidene)-, 2-benzoate 1-(4-methylbenzenesulfonate)
SpectraBase Compound ID KOP7FnPGKHT
InChI InChI=1S/C23H26O8S/c1-15-9-11-17(12-10-15)32(25,26)28-14-18(29-22(24)16-7-5-4-6-8-16)20-21-19(13-27-20)30-23(2,3)31-21/h4-12,18-21H,13-14H2,1-3H3/t18-,19+,20+,21+/m0/s1
InChIKey JDOXRHLLBFEQKW-DOIPELPJSA-N
Mol Weight 462.51 g/mol
Molecular Formula C23H26O8S
Exact Mass 462.134839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuxxyAkc0g9
Name D-Glucitol, 3,6-anhydro-4,5-O-(1-methylethylidene)-, 2-benzoate 1-(4-methylbenzenesulfonate)
Alternate Name(s) 3,6-Anhydro-2-O-benzoly-4,5-O-isopropylidene-1-O-p-tolylsulfonyl-D-glucitol 3,6-anhydro-2-O-benzoyl-4,5-O-(1-methylethylidene)-1-O-[(4-methylphenyl)sulfonyl]-D-glucitol Furo[3,4-d]-1,3-dioxole, D-glucitol deriv.
CAS Registry Number 53577-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O8S
InChI InChI=1S/C23H26O8S/c1-15-9-11-17(12-10-15)32(25,26)28-14-18(29-22(24)16-7-5-4-6-8-16)20-21-19(13-27-20)30-23(2,3)31-21/h4-12,18-21H,13-14H2,1-3H3/t18-,19+,20+,21+/m0/s1
InChIKey JDOXRHLLBFEQKW-DOIPELPJSA-N
Molecular Weight 462.513 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)[C@@]([C@@]1([C@]2([C@](OC(O2)(C)C)(CO1)[H])[H])[H])(OC(=O)c1ccccc1)[H]
SPLASH splash10-03dj-1910300000-2c7acc05bf8707feb6f5
Source of Spectrum AC-74-1391-5
Wiley ID 1390968