![MILITARINONE-B;5-[HYDROXY-(4-HYDROXYPHENYL)-METHYL]-3-(1-HYDROXY-6,8,10-TRIMETHYLDODECA-2,4,6-TRIENYLIDENE)-PYRROLIDINE-2,4-DIONE](/api/spectrum/JwXlru8BvMj/structure.png?h=300&w=458 "MILITARINONE-B;5-[HYDROXY-(4-HYDROXYPHENYL)-METHYL]-3-(1-HYDROXY-6,8,10-TRIMETHYLDODECA-2,4,6-TRIENYLIDENE)-PYRROLIDINE-2,4-DIONE")
| SpectraBase Compound ID | f0beckYwVj |
|---|---|
| InChI | InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1 |
| InChIKey | NKHVQSJVSMTQID-YNUTZCEOSA-N |
| Mol Weight | 439.6 g/mol |
| Molecular Formula | C26H33NO5 |
| Exact Mass | 439.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwXlru8BvMj |
|---|---|
| Name | MILITARINONE-B;5-[HYDROXY-(4-HYDROXYPHENYL)-METHYL]-3-(1-HYDROXY-6,8,10-TRIMETHYLDODECA-2,4,6-TRIENYLIDENE)-PYRROLIDINE-2,4-DIONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H33NO5 |
| InChI | InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23?,24?/m1/s1 |
| InChIKey | NKHVQSJVSMTQID-YNUTZCEOSA-N |
| Literature Reference Author | K.SCHMIDT,U.RIESE,Z.LI,M.HAMBURGER |
| Literature Reference Citation | J.NAT.PROD.,66,378(2003) |
| Literature Reference DOI | 10.1021/np020430y |
| Molecular Weight | 439.552 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI4630 |