| SpectraBase Compound ID | GQrmM0SnEH8 |
|---|---|
| InChI | InChI=1S/C28H56O6Si4/c1-20(2)22-17-16-21(3)18-23(22)30-28-27(34-38(13,14)15)26(33-37(10,11)12)25(32-36(7,8)9)24(31-28)19-29-35(4,5)6/h16-18,20,24-28H,19H2,1-15H3/t24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | STVRAOWPYGYCQJ-RKFAPSRVSA-N |
| Mol Weight | 601.1 g/mol |
| Molecular Formula | C28H56O6Si4 |
| Exact Mass | 600.315396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1T6zuqM7vcI |
|---|---|
| Name | Thymolglucoside, 4tms (isomer 1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 600.315395657 u |
| Formula | C28H56O6Si4 |
| InChI | InChI=1S/C28H56O6Si4/c1-20(2)22-17-16-21(3)18-23(22)30-28-27(34-38(13,14)15)26(33-37(10,11)12)25(32-36(7,8)9)24(31-28)19-29-35(4,5)6/h16-18,20,24-28H,19H2,1-15H3/t24-,25-,26+,27-,28-/m1/s1 |
| InChIKey | STVRAOWPYGYCQJ-RKFAPSRVSA-N |
| Molecular Weight | 601.090 g/mol |
| SMILES | C1=CC(=C(C=C1C)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])C(C)C |