![Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(.beta.-D-glucopyranosyloxy)phenyl]methyl ester, 6tms](/api/spectrum/L4W9Bq2l0iF/structure.png?h=300&w=458 "Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(.beta.-D-glucopyranosyloxy)phenyl]methyl ester, 6tms")
| SpectraBase Compound ID | ElQMUZZTc6x |
|---|---|
| InChI | InChI=1S/C37H76O10Si6/c1-21-37(2,47-53(18,19)20)34(46-52(15,16)17)35(38)39-26-28-22-24-29(25-23-28)41-36-33(45-51(12,13)14)32(44-50(9,10)11)31(43-49(6,7)8)30(42-36)27-40-48(3,4)5/h22-25,30-34,36H,21,26-27H2,1-20H3/t30-,31-,32+,33-,34?,36-,37?/m1/s1 |
| InChIKey | STDOXJRRGSSHMN-HBQZYFOHSA-N |
| Mol Weight | 849.5 g/mol |
| Molecular Formula | C37H76O10Si6 |
| Exact Mass | 848.405408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4W9Bq2l0iF |
|---|---|
| Name | Pentonic acid, 4,5-dideoxy-3-C-methyl-, [4-(.beta.-D-glucopyranosyloxy)phenyl]methyl ester, 6tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 848.405407847 u |
| Formula | C37H76O10Si6 |
| InChI | InChI=1S/C37H76O10Si6/c1-21-37(2,47-53(18,19)20)34(46-52(15,16)17)35(38)39-26-28-22-24-29(25-23-28)41-36-33(45-51(12,13)14)32(44-50(9,10)11)31(43-49(6,7)8)30(42-36)27-40-48(3,4)5/h22-25,30-34,36H,21,26-27H2,1-20H3/t30-,31-,32+,33-,34?,36-,37?/m1/s1 |
| InChIKey | STDOXJRRGSSHMN-HBQZYFOHSA-N |
| Molecular Weight | 849.515 g/mol |
| SMILES | C(C(O[Si](C)(C)C)C(O[Si](C)(C)C)(CC)C)(=O)OCC1=CC=C(C=C1)O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H] |