| SpectraBase Compound ID | FfrLJXKYWhw |
|---|---|
| InChI | InChI=1S/C20H12O5/c21-13-7-8-17-18-11(13)3-1-6-16(18)24-20(25-17)10-9-15(23)19-12(20)4-2-5-14(19)22/h1-10,21-22H |
| InChIKey | GGVXSPGDDKMPME-UHFFFAOYSA-N |
| Mol Weight | 332.31 g/mol |
| Molecular Formula | C20H12O5 |
| Exact Mass | 332.068473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dijARSgbnC |
|---|---|
| Name | 4'-Hydroxy-palmarumycin - CP1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.068473481 u |
| Formula | C20H12O5 |
| InChI | InChI=1S/C20H12O5/c21-13-7-8-17-18-11(13)3-1-6-16(18)24-20(25-17)10-9-15(23)19-12(20)4-2-5-14(19)22/h1-10,21-22H |
| InChIKey | GGVXSPGDDKMPME-UHFFFAOYSA-N |
| Molecular Weight | 332.311 g/mol |
| SMILES | C12(OC3=C4C(C=CC=C4O2)=C(C=C3)O)C=2C(=C(O)C=CC2)C(C=C1)=O |