![Ethanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-, 5tms derivative](/api/spectrum/4dOTuqeD1X4/structure.png?h=300&w=458 "Ethanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-, 5tms derivative")
| SpectraBase Compound ID | 4HDMm2jOP9r |
|---|---|
| InChI | InChI=1S/C30H60O8Si5/c1-21-18-23(35-40(6,7)8)19-24(26(21)22(2)31)33-30-29(38-43(15,16)17)28(37-42(12,13)14)27(36-41(9,10)11)25(34-30)20-32-39(3,4)5/h18-19,25,27-30H,20H2,1-17H3/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | RTPKHFCFJAPBNE-LXRLAABLSA-N |
| Mol Weight | 689.2 g/mol |
| Molecular Formula | C30H60O8Si5 |
| Exact Mass | 688.313452 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4dOTuqeD1X4 |
|---|---|
| Name | Ethanone, 1-[2-(.beta.-D-glucopyranosyloxy)-4-hydroxy-6-methylphenyl]-, 5tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 688.313451559 u |
| Formula | C30H60O8Si5 |
| InChI | InChI=1S/C30H60O8Si5/c1-21-18-23(35-40(6,7)8)19-24(26(21)22(2)31)33-30-29(38-43(15,16)17)28(37-42(12,13)14)27(36-41(9,10)11)25(34-30)20-32-39(3,4)5/h18-19,25,27-30H,20H2,1-17H3/t25-,27-,28+,29-,30-/m1/s1 |
| InChIKey | RTPKHFCFJAPBNE-LXRLAABLSA-N |
| SMILES | C(C)(C1=C(C=C(C=C1C)O[Si](C)(C)C)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])=O |