| SpectraBase Compound ID | 3xWfW7JeHaX |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-17(2)8-5-9-19(4)13(17)7-11-20-12-18(3,10-6-14(19)20)15(21)16(20)22/h13-14H,5-12H2,1-4H3/t13-,14+,18+,19-,20+/m1/s1 |
| InChIKey | DZLBSDLWDIBVQE-QPDGGIQXSA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H0ZjBRL84vS |
|---|---|
| Name | ent-15,16-Beyeranedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.224580204 u |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-17(2)8-5-9-19(4)13(17)7-11-20-12-18(3,10-6-14(19)20)15(21)16(20)22/h13-14H,5-12H2,1-4H3/t13-,14+,18+,19-,20+/m1/s1 |
| InChIKey | DZLBSDLWDIBVQE-QPDGGIQXSA-N |
| SMILES | [C@@]123C(C(=O)[C@](C3)(CC[C@]2([C@@]2(CCCC([C@]2(CC1)[H])(C)C)C)[H])C)=O |