| SpectraBase Compound ID | B523hIJxkfc |
|---|---|
| InChI | InChI=1S/C21H26O7/c1-20(2,23)9-6-10-21(3)15(28-21)12-26-18-14(24-4)11-13-7-8-16(22)27-17(13)19(18)25-5/h6-9,11,15,23H,10,12H2,1-5H3/b9-6+ |
| InChIKey | CGXAJBTWWMSBAI-RMKNXTFCSA-N |
| Mol Weight | 390.43 g/mol |
| Molecular Formula | C21H26O7 |
| Exact Mass | 390.167853 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASggRKImltX |
|---|---|
| Name | Altissimacoumarin A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.167853170 u |
| Formula | C21H26O7 |
| InChI | InChI=1S/C21H26O7/c1-20(2,23)9-6-10-21(3)15(28-21)12-26-18-14(24-4)11-13-7-8-16(22)27-17(13)19(18)25-5/h6-9,11,15,23H,10,12H2,1-5H3/b9-6+ |
| InChIKey | CGXAJBTWWMSBAI-RMKNXTFCSA-N |
| Molecular Weight | 390.432 g/mol |
| SMILES | C1(OC1COC=1C(=C2OC(=O)C=CC2=CC1OC)OC)(C\C=C\C(O)(C)C)C |