![DI-[ENT-3,13-E-CLERODADIEN-15-YL]-MALONATE](/api/spectrum/32qNo8NQ8MN/structure.png?h=300&w=458 "DI-[ENT-3,13-E-CLERODADIEN-15-YL]-MALONATE")
| SpectraBase Compound ID | DYSYobWyH6Q |
|---|---|
| InChI | InChI=1S/C43H68O4/c1-30(17-23-40(7)34(5)19-25-42(9)32(3)13-11-15-36(40)42)21-27-46-38(44)29-39(45)47-28-22-31(2)18-24-41(8)35(6)20-26-43(10)33(4)14-12-16-37(41)43/h13-14,21-22,34-37H,11-12,15-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35-,36-,37-,40+,41+,42+,43+/m1/s1 |
| InChIKey | HUHREIPLUIAGJO-PSQUXODISA-N |
| Mol Weight | 649.0 g/mol |
| Molecular Formula | C43H68O4 |
| Exact Mass | 648.511761 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32qNo8NQ8MN |
|---|---|
| Name | DI-[ENT-3,13-E-CLERODADIEN-15-YL]-MALONATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O4 |
| InChI | InChI=1S/C43H68O4/c1-30(17-23-40(7)34(5)19-25-42(9)32(3)13-11-15-36(40)42)21-27-46-38(44)29-39(45)47-28-22-31(2)18-24-41(8)35(6)20-26-43(10)33(4)14-12-16-37(41)43/h13-14,21-22,34-37H,11-12,15-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35-,36-,37-,40+,41+,42+,43+/m1/s1 |
| InChIKey | HUHREIPLUIAGJO-PSQUXODISA-N |
| Literature Reference Author | J.G.URONES,I.S.MARCOS,L.CUBILLO,N.M.GARRIDO,P.BASABE |
| Literature Reference Citation | PHYTOCHEM.,29,2223(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)83042-Y |
| Molecular Weight | 649.011 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ22400 |