| SpectraBase Compound ID | 5LNbyJMs6qz |
|---|---|
| InChI | InChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-21(7-2)24(28)18(5)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22+,23-,26-,27-/m1/s1 |
| InChIKey | ALLQJQBDLUMIQH-UOVLAWSHSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C27H36O3 |
| Exact Mass | 408.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FRdnNX5MDTN |
|---|---|
| Name | SPICULOIC-ACID-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O3 |
| InChI | InChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-21(7-2)24(28)18(5)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22+,23-,26-,27-/m1/s1 |
| InChIKey | ALLQJQBDLUMIQH-UOVLAWSHSA-N |
| Literature Reference Author | X.H.HUANG,R.V.SOEST,M.ROBERGE,R.J.ANDERSEN |
| Literature Reference Citation | ORG.LETTERS,6,75(2004) |
| Literature Reference DOI | 10.1021/ol0361047 |
| Molecular Weight | 408.581 g/mol |
| Sample ID | 34817 |
| Solvent | CDCl3 |