| SpectraBase Compound ID | oiynQMAnVX |
|---|---|
| InChI | InChI=1S/C20H34O3/c1-15(2)17-9-8-16(3)7-6-11-19(4,22)13-18(21)14-20(5,23)12-10-17/h7,10,12,15,17,22-23H,6,8-9,11,13-14H2,1-5H3/b12-10-,16-7- |
| InChIKey | MDAYARHQGHDIGJ-XTULPEHMSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C20H34O3 |
| Exact Mass | 322.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7cu0XEKx3dV |
|---|---|
| Name | 4,8-Dihydroxy-2,11-cenbradien-6-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.250794952 u |
| Formula | C20H34O3 |
| InChI | InChI=1S/C20H34O3/c1-15(2)17-9-8-16(3)7-6-11-19(4,22)13-18(21)14-20(5,23)12-10-17/h7,10,12,15,17,22-23H,6,8-9,11,13-14H2,1-5H3/b12-10-,16-7- |
| InChIKey | MDAYARHQGHDIGJ-XTULPEHMSA-N |
| Molecular Weight | 322.489 g/mol |
| SMILES | C1(\C=C/C(CC\C(=C/CCC(CC(C1)=O)(O)C)C)C(C)C)(O)C |