| SpectraBase Compound ID | GBmtoA2xtcp |
|---|---|
| InChI | InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1 |
| InChIKey | XYIQIBWIEGCVQY-RWHUQTJRSA-N |
| Mol Weight | 408.49 g/mol |
| Molecular Formula | C25H28O5 |
| Exact Mass | 408.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxgOZjN0sdD |
|---|---|
| Name | MIMULONE |
| Compound Number | 2D |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H28O5 |
| InChI | InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1 |
| InChIKey | XYIQIBWIEGCVQY-RWHUQTJRSA-N |
| Literature Reference Author | W.R.PHILLIPS,N.J.BAJ,A.A.L.GUNATILAKA,D.G.I.KINGSTON |
| Literature Reference Citation | J.NAT.PROD.,59,495(1996) |
| Literature Reference DOI | 10.1021/np960240l |
| Molecular Weight | 408.494 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWCS15402 |