| SpectraBase Compound ID | BfmHewRuEcW |
|---|---|
| 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)23-18(5)24(28)21(7-2)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | IJBZGABOCOJLTC-APGPCESXSA-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 | ADqysKHgS26 |
|---|---|
| Name | ISOSPICULOIC-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)23-18(5)24(28)21(7-2)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22-,23-,26-,27-/m0/s1 |
| InChIKey | IJBZGABOCOJLTC-APGPCESXSA-N |
| Literature Reference Author | F.BERRUE,O.P.THOMAS,R.FERNANDEZ,P.AMADE |
| Literature Reference Citation | J.NAT.PROD.,68,547(2005) |
| Literature Reference DOI | 10.1021/np049602c |
| Molecular Weight | 408.581 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9594 |