| SpectraBase Compound ID | CyfG7mtBx3s |
|---|---|
| InChI | InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3 |
| InChIKey | KPLBOWKEQXYXSD-UHFFFAOYSA-N |
| Mol Weight | 430.5 g/mol |
| Molecular Formula | C24H30O7 |
| Exact Mass | 430.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AzOqZLZCUfW |
|---|---|
| Name | Athamantin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.199153299 u |
| Formula | C24H30O7 |
| InChI | InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3 |
| InChIKey | KPLBOWKEQXYXSD-UHFFFAOYSA-N |
| Molecular Weight | 430.497 g/mol |
| SMILES | C=12C(C(OC2=CC=C2C1OC(C=C2)=O)C(OC(=O)CC(C)C)(C)C)OC(=O)CC(C)C |