![Methyl 4,6-O-benzylidene-2-O-[(4-methylphenyl)sulfonyl]hexopyranoside](/api/spectrum/CLMu8rR585L/structure.png?h=300&w=458 "Methyl 4,6-O-benzylidene-2-O-[(4-methylphenyl)sulfonyl]hexopyranoside")
| SpectraBase Compound ID | Emrwi4JZBHC |
|---|---|
| InChI | InChI=1S/C21H24O8S/c1-13-8-10-15(11-9-13)30(23,24)29-19-17(22)18-16(27-21(19)25-2)12-26-20(28-18)14-6-4-3-5-7-14/h3-11,16-22H,12H2,1-2H3/t16-,17+,18-,19-,20-,21-/m1/s1 |
| InChIKey | BBWKTKLCLZHSJW-KXXIFBCNSA-N |
| Mol Weight | 436.48 g/mol |
| Molecular Formula | C21H24O8S |
| Exact Mass | 436.119189 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CLMu8rR585L |
|---|---|
| Name | Methyl 4,6-O-benzylidene-2-O-[(4-methylphenyl)sulfonyl]hexopyranoside |
| Alternate Name(s) | Methyl 4,6-O-benzylidene-.beta.,D-glu-3-O-tosylate (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate (6-methoxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate .alpha.-d-Allopyranoside, methyl 4,6-O-(phenylmethylene)-, 2-(4-methylbenzenesulfonate) 4-methylbenzenesulfonic acid (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) ester |
| CAS Registry Number | 4153-14-4 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H24O8S |
| InChI | InChI=1S/C21H24O8S/c1-13-8-10-15(11-9-13)30(23,24)29-19-17(22)18-16(27-21(19)25-2)12-26-20(28-18)14-6-4-3-5-7-14/h3-11,16-22H,12H2,1-2H3/t16-,17+,18-,19-,20-,21-/m1/s1 |
| InChIKey | BBWKTKLCLZHSJW-KXXIFBCNSA-N |
| Molecular Weight | 436.475 g/mol |
| SMILES | O[C@]1([C@@]2(O[C@](c3ccccc3)(OC[C@]2(O[C@]([C@@]1(OS(c1ccc(cc1)C)(=O)=O)[H])(OC)[H])[H])[H])[H])[H] |
| SPLASH | splash10-0a4i-0900000000-146d167ecbf5fb833329 |
| Source of Spectrum | E1-39-2886-32 |
| Wiley ID | 1519240 |