| SpectraBase Compound ID | IZ9IiMbVcJq |
|---|---|
| InChI | InChI=1S/C30H62O8Si5/c1-31-25-21-23(19-20-32-39(2,3)4)17-18-24(25)34-30-29(38-43(14,15)16)28(37-42(11,12)13)27(36-41(8,9)10)26(35-30)22-33-40(5,6)7/h17-18,21,26-30H,19-20,22H2,1-16H3/t26-,27-,28+,29-,30-/m1/s1 |
| InChIKey | WMQVRPSHDKPMBE-CMPUJJQDSA-N |
| Mol Weight | 691.2 g/mol |
| Molecular Formula | C30H62O8Si5 |
| Exact Mass | 690.329102 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38MqbB4Fy35 |
|---|---|
| Name | Homovanillyl alcohol 4-o-.beta.-D-glucopyranoside, 5tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 690.329101623 u |
| Formula | C30H62O8Si5 |
| InChI | InChI=1S/C30H62O8Si5/c1-31-25-21-23(19-20-32-39(2,3)4)17-18-24(25)34-30-29(38-43(14,15)16)28(37-42(11,12)13)27(36-41(8,9)10)26(35-30)22-33-40(5,6)7/h17-18,21,26-30H,19-20,22H2,1-16H3/t26-,27-,28+,29-,30-/m1/s1 |
| InChIKey | WMQVRPSHDKPMBE-CMPUJJQDSA-N |
| SMILES | C(CC1=CC(OC)=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])O[Si](C)(C)C |