| SpectraBase Compound ID | FAWZ3damhPw |
|---|---|
| InChI | InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3 |
| InChIKey | MXIZZLBQRBAZEX-UHFFFAOYSA-N |
| Mol Weight | 377.48 g/mol |
| Molecular Formula | C24H27NO3 |
| Exact Mass | 377.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEC2wG5vZV9 |
|---|---|
| Name | Dioncophyllin A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.199093730 u |
| Formula | C24H27NO3 |
| InChI | InChI=1S/C24H27NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-11,14-15,25-26H,12H2,1-5H3 |
| InChIKey | MXIZZLBQRBAZEX-UHFFFAOYSA-N |
| Molecular Weight | 377.484 g/mol |
| SMILES | C1=C(C2=C(C(=C1C)C1=CC=C3C(=C1O)C(NC(C3)C)C)C=CC=C2OC)OC |