| SpectraBase Compound ID | 5opsKrBRCjd |
|---|---|
| InChI | InChI=1S/C21H28O5/c22-16-11-9-15(10-12-16)7-5-3-1-2-4-6-8-18(24)21-19(25)13-17(23)14-20(21)26/h9-12,17,22-23,25H,1-8,13-14H2 |
| InChIKey | MLCNUZWDSMLUQH-UHFFFAOYSA-N |
| Mol Weight | 360.45 g/mol |
| Molecular Formula | C21H28O5 |
| Exact Mass | 360.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6L9pbe2CvM2 |
|---|---|
| Name | Promalabaricone B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.193673997 u |
| Formula | C21H28O5 |
| InChI | InChI=1S/C21H28O5/c22-16-11-9-15(10-12-16)7-5-3-1-2-4-6-8-18(24)21-19(25)13-17(23)14-20(21)26/h9-12,17,22-23,25H,1-8,13-14H2 |
| InChIKey | MLCNUZWDSMLUQH-UHFFFAOYSA-N |
| Molecular Weight | 360.450 g/mol |
| SMILES | C1(=C(CC(CC1=O)O)O)C(=O)CCCCCCCCC1=CC=C(C=C1)O |