| SpectraBase Compound ID | Ec6VzwhTvXl |
|---|---|
| InChI | InChI=1S/C24H36O6/c1-14(13-20(27)28)11-12-23(6)16(3)21(29-17(4)25)22(30-18(5)26)24(7)15(2)9-8-10-19(23)24/h9,13,16,19,21-22H,8,10-12H2,1-7H3,(H,27,28)/b14-13-/t16-,19-,21-,22+,23+,24+/m1/s1 |
| InChIKey | MEYMLQXJGDOBCS-KSYFGCDNSA-N |
| Mol Weight | 420.5 g/mol |
| Molecular Formula | C24H36O6 |
| Exact Mass | 420.251189 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUvxSABf6w5 |
|---|---|
| Name | 6.alpha.,7.beta.-Diacetoxy-13Z-kolavenic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.251188873 u |
| Formula | C24H36O6 |
| InChI | InChI=1S/C24H36O6/c1-14(13-20(27)28)11-12-23(6)16(3)21(29-17(4)25)22(30-18(5)26)24(7)15(2)9-8-10-19(23)24/h9,13,16,19,21-22H,8,10-12H2,1-7H3,(H,27,28)/b14-13-/t16-,19-,21-,22+,23+,24+/m1/s1 |
| InChIKey | MEYMLQXJGDOBCS-KSYFGCDNSA-N |
| Molecular Weight | 420.546 g/mol |
| SMILES | [C@@]12([C@]([C@](OC(=O)C)([C@]([C@@]([C@]2(CCC=C1C)[H])(CC\C(=C/C(=O)O)C)C)(C)[H])[H])(OC(=O)C)[H])C |