| SpectraBase Compound ID | 54E1U1LvLuW |
|---|---|
| InChI | InChI=1S/C38H56O4/c1-4-38(42-37(3)40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-36(2)39/h1,32,34,38H,7-26,28,30,35H2,2-3H3/b34-32+ |
| InChIKey | ABPOZQYUCUBMTC-NWBJSICCSA-N |
| Mol Weight | 576.9 g/mol |
| Molecular Formula | C38H56O4 |
| Exact Mass | 576.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7LLVS0hfl3 |
|---|---|
| Name | Durissimol B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.417860279 u |
| Formula | C38H56O4 |
| InChI | InChI=1S/C38H56O4/c1-4-38(42-37(3)40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-36(2)39/h1,32,34,38H,7-26,28,30,35H2,2-3H3/b34-32+ |
| InChIKey | ABPOZQYUCUBMTC-NWBJSICCSA-N |
| Molecular Weight | 576.862 g/mol |
| SMILES | C(C#CCOC(=O)C)#CCCCCCCCCCCC#CCCCCCCCCCCCC\C=C\C(C#C)OC(=O)C |