| SpectraBase Compound ID | GvFuIWZJhPp |
|---|---|
| InChI | InChI=1S/C43H68O4/c1-30(13-17-34-32(3)15-19-36-40(5,6)23-11-25-42(34,36)9)21-27-46-38(44)29-39(45)47-28-22-31(2)14-18-35-33(4)16-20-37-41(7,8)24-12-26-43(35,37)10/h15-16,21-22,34-37H,11-14,17-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35+,36-,37+,42+,43- |
| InChIKey | WUPAGTVBVOQGAN-GHWCGORYSA-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 | 69Bc2B2gge5 |
|---|---|
| Name | DI-(7,13-E-LABDADIEN-15-YL)-MALONATE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O4 |
| InChI | InChI=1S/C43H68O4/c1-30(13-17-34-32(3)15-19-36-40(5,6)23-11-25-42(34,36)9)21-27-46-38(44)29-39(45)47-28-22-31(2)14-18-35-33(4)16-20-37-41(7,8)24-12-26-43(35,37)10/h15-16,21-22,34-37H,11-14,17-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35+,36-,37+,42+,43- |
| InChIKey | WUPAGTVBVOQGAN-GHWCGORYSA-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 | UWMZ22398 |