| SpectraBase Compound ID | Icuy1CbKRgo |
|---|---|
| InChI | InChI=1S/C43H68O4/c1-30(15-17-35-32(3)16-18-36-40(6,7)23-12-24-43(35,36)10)21-27-46-38(44)29-39(45)47-28-22-31(2)19-25-41(8)34(5)20-26-42(9)33(4)13-11-14-37(41)42/h13,16,21-22,34-37H,11-12,14-15,17-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35+,36+,37-,41+,42+,43-/m1/s1 |
| InChIKey | OZJBEUHJCWOKKL-REPGPHOQSA-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 | BuZMc8BC8dV |
|---|---|
| Name | 7,13-E-LABDADIEN-15-YL_AND_ENT-3,13-E-CLERODADIEN-15-YL_MALONIC_ACID_DIESTER |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H68O4 |
| InChI | InChI=1S/C43H68O4/c1-30(15-17-35-32(3)16-18-36-40(6,7)23-12-24-43(35,36)10)21-27-46-38(44)29-39(45)47-28-22-31(2)19-25-41(8)34(5)20-26-42(9)33(4)13-11-14-37(41)42/h13,16,21-22,34-37H,11-12,14-15,17-20,23-29H2,1-10H3/b30-21+,31-22+/t34-,35+,36+,37-,41+,42+,43-/m1/s1 |
| InChIKey | OZJBEUHJCWOKKL-REPGPHOQSA-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 | UWMZ22399 |