| SpectraBase Compound ID | qvQdbTV8Qs |
|---|---|
| InChI | InChI=1S/C22H38O10/c1-21(28-7)11-14(24-3)22(29-8)9-10-30-20(18(21)22)32-19-17(27-6)16(26-5)15(25-4)13(31-19)12-23-2/h9-10,13-20H,11-12H2,1-8H3/t13-,14-,15-,16+,17-,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | KIWYPINHHZLMHE-GJQNZDIXSA-N |
| Mol Weight | 462.5 g/mol |
| Molecular Formula | C22H38O10 |
| Exact Mass | 462.246497 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyXAkEshX8b |
|---|---|
| Name | Harpagide, heptamethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.246497414 u |
| Formula | C22H38O10 |
| InChI | InChI=1S/C22H38O10/c1-21(28-7)11-14(24-3)22(29-8)9-10-30-20(18(21)22)32-19-17(27-6)16(26-5)15(25-4)13(31-19)12-23-2/h9-10,13-20H,11-12H2,1-8H3/t13-,14-,15-,16+,17-,18-,19+,20+,21+,22-/m1/s1 |
| InChIKey | KIWYPINHHZLMHE-GJQNZDIXSA-N |
| Molecular Weight | 462.536 g/mol |
| SMILES | [C@@]1(O[C@]2([C@]3([C@@](C=CO2)([C@@](C[C@]3(C)OC)(OC)[H])OC)[H])[H])([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H] |