![2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.2(15,18)]octatriconta-15,17,32,34,35,37-hexadiene](/api/spectrum/HabCsyCMYP3/structure.png?h=300&w=458 "2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.2(15,18)]octatriconta-15,17,32,34,35,37-hexadiene")
| SpectraBase Compound ID | C32DU49sMKX |
|---|---|
| InChI | InChI=1S/C28H40O10/c1-2-26-4-3-25(1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-5-7-28(8-6-27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2 |
| InChIKey | REKDBTBSNFSNGP-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 | HabCsyCMYP3 |
|---|---|
| Name | 2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.2(15,18)]octatriconta-15,17,32,34,35,37-hexadiene |
| 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/c1-2-26-4-3-25(1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-5-7-28(8-6-27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2 |
| InChIKey | REKDBTBSNFSNGP-UHFFFAOYSA-N |
| Molecular Weight | 536.618 g/mol |
| SMILES | C1=C2C=CC(=C1)OCCOCCOCCOCCOC1=CC=C(C=C1)OCCOCCOCCOCCO2 |