![2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.1(15,19)]octatriaconta-1(37),15,17,19(38),33,35-hexaene](/api/spectrum/2yffEBcRMbq/structure.png?h=300&w=458 "2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.1(15,19)]octatriaconta-1(37),15,17,19(38),33,35-hexaene")
| SpectraBase Compound ID | 9aRyYldRdEf |
|---|---|
| InChI | InChI=1S/C28H40O10/c1-3-25-23-26(4-1)36-20-16-32-12-8-30-10-14-34-18-22-38-28-6-2-5-27(24-28)37-21-17-33-13-9-29-7-11-31-15-19-35-25/h1-6,23-24H,7-22H2 |
| InChIKey | PQGWMOBEFDKNRX-UHFFFAOYSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C28H40O10 |
| Exact Mass | 536.262147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2yffEBcRMbq |
|---|---|
| Name | 2,5,8,11,14,20,23,26,29,32-Decaoxatricyclo[31.3.1.1(15,19)]octatriaconta-1(37),15,17,19(38),33,35-hexaene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.262147478 u |
| Formula | C28H40O10 |
| InChI | InChI=1S/C28H40O10/c1-3-25-23-26(4-1)36-20-16-32-12-8-30-10-14-34-18-22-38-28-6-2-5-27(24-28)37-21-17-33-13-9-29-7-11-31-15-19-35-25/h1-6,23-24H,7-22H2 |
| InChIKey | PQGWMOBEFDKNRX-UHFFFAOYSA-N |
| Molecular Weight | 536.618 g/mol |
| SMILES | C12=CC=CC(=C2)OCCOCCOCCOCCOC2=CC(=CC=C2)OCCOCCOCCOCCO1 |