![ROSELLICHALASIN;6,7-EPOXY-10-PHENYL-5,6,16,18-TETRAMETHYL-22-OXA-[12]-CYCLO-CHALAS-13,19-DIENE-17,21-DIONE](/api/spectrum/K6E7CmMJo5u/structure.png?h=300&w=458 "ROSELLICHALASIN;6,7-EPOXY-10-PHENYL-5,6,16,18-TETRAMETHYL-22-OXA-[12]-CYCLO-CHALAS-13,19-DIENE-17,21-DIONE")
| SpectraBase Compound ID | XYSlKBd13z |
|---|---|
| InChI | InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13+/t16-,18-,20-,21-,23-,25-,27+,28+/m0/s1 |
| InChIKey | XNIXILZHFOBLTQ-RDTBASBDSA-N |
| Mol Weight | 463.6 g/mol |
| Molecular Formula | C28H33NO5 |
| Exact Mass | 463.235873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6E7CmMJo5u |
|---|---|
| Name | ROSELLICHALASIN;6,7-EPOXY-10-PHENYL-5,6,16,18-TETRAMETHYL-22-OXA-[12]-CYCLO-CHALAS-13,19-DIENE-17,21-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H33NO5 |
| InChI | InChI=1S/C28H33NO5/c1-16-9-8-12-20-25-27(4,34-25)18(3)23-21(15-19-10-6-5-7-11-19)29-26(32)28(20,23)33-22(30)14-13-17(2)24(16)31/h5-8,10-13,16,18,20-21,23,25H,9,14-15H2,1-4H3,(H,29,32)/b12-8+,17-13+/t16-,18-,20-,21-,23-,25-,27+,28+/m0/s1 |
| InChIKey | XNIXILZHFOBLTQ-RDTBASBDSA-N |
| Literature Reference Author | Y.KIMURA,H.NAKAJIMA,T.HAMASAKI |
| Literature Reference Citation | AGR.BIOL.CHEM.,53,1699(1989) |
| Literature Reference DOI | 10.1271/bbb1961.53.1699 |
| Molecular Weight | 463.574 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWIR7713 |