| SpectraBase Compound ID | BlqdBIOCp3A |
|---|---|
| InChI | InChI=1S/C21H28O6/c22-15-12-19(26)21(20(27)13-15)17(24)8-6-4-2-1-3-5-7-14-9-10-16(23)18(25)11-14/h9-11,15,22-23,25-26H,1-8,12-13H2 |
| InChIKey | VNUOQDKYXMTUDP-UHFFFAOYSA-N |
| Mol Weight | 376.45 g/mol |
| Molecular Formula | C21H28O6 |
| Exact Mass | 376.188589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GPvB6yjzwRy |
|---|---|
| Name | Promalabaricone C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.188588616 u |
| Formula | C21H28O6 |
| InChI | InChI=1S/C21H28O6/c22-15-12-19(26)21(20(27)13-15)17(24)8-6-4-2-1-3-5-7-14-9-10-16(23)18(25)11-14/h9-11,15,22-23,25-26H,1-8,12-13H2 |
| InChIKey | VNUOQDKYXMTUDP-UHFFFAOYSA-N |
| Molecular Weight | 376.449 g/mol |
| SMILES | C1(=C(CC(CC1=O)O)O)C(=O)CCCCCCCCC1=CC(O)=C(C=C1)O |