| SpectraBase Compound ID | IL3Yl7dzc2N |
|---|---|
| InChI | InChI=1S/C33H36N4O4/c1-7-20-18(5)26-15-30-21(8-2)17(4)25(35-30)14-27-19(6)22(9-10-31(38)39)33(37-27)23(12-32(40)41)28-11-16(3)24(34-28)13-29(20)36-26/h8,11,13-15,19,22,34-35H,2,7,9-10,12H2,1,3-6H3,(H,38,39)(H,40,41)/b24-13-,25-14-,26-15-,27-14-,28-23-,29-13-,30-15-,33-23-/t19-,22-/m0/s1 |
| InChIKey | CGTFSDMHQCEOMX-FOUHVHQPSA-N |
| Mol Weight | 552.7 g/mol |
| Molecular Formula | C33H36N4O4 |
| Exact Mass | 552.273656 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IZUvnVeByhV |
|---|---|
| Name | ISOCHLORIN-E4 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H36N4O4 |
| InChI | InChI=1S/C33H36N4O4/c1-7-20-18(5)26-15-30-21(8-2)17(4)25(35-30)14-27-19(6)22(9-10-31(38)39)33(37-27)23(12-32(40)41)28-11-16(3)24(34-28)13-29(20)36-26/h8,11,13-15,19,22,34-35H,2,7,9-10,12H2,1,3-6H3,(H,38,39)(H,40,41)/b24-13-,25-14-,26-15-,27-14-,28-23-,29-13-,30-15-,33-23-/t19-,22-/m0/s1 |
| InChIKey | CGTFSDMHQCEOMX-FOUHVHQPSA-N |
| Literature Reference Author | W.P.FRANKMOLLE,W.FENICAL |
| Literature Reference Citation | PHYTOCHEM.,36,361(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97076-6 |
| Molecular Weight | 552.673 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS25172 |