| SpectraBase Compound ID | 18RCbuw2qbB |
|---|---|
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h19-22,24-25,29H,1,7-17H2,2-6H3 |
| InChIKey | JAWKUBAMNCEUTJ-UHFFFAOYSA-N |
| Mol Weight | 398.7 g/mol |
| Molecular Formula | C28H46O |
| Exact Mass | 398.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZXaciiLMVq |
|---|---|
| Name | Ergosta-8,25(27)-dienol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.354866100 u |
| Formula | C28H46O |
| InChI | InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h19-22,24-25,29H,1,7-17H2,2-6H3 |
| InChIKey | JAWKUBAMNCEUTJ-UHFFFAOYSA-N |
| Molecular Weight | 398.675 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1=C2CCC2(C1CCC2C(CCC(C(C)=C)C)C)C)C)O |