| SpectraBase Compound ID | FnwXdxtoJ35 |
|---|---|
| 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/h21-22,34-37H,3-4,11-20,23-29H2,1-2,5-10H3/b30-21+,31-22+/t34-,35-,36+,37+,42+,43+/m1/s1 |
| InChIKey | LJWGOJDJBMDNFY-SVHLFEAGSA-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 | A2Ox4EbAUgT |
|---|---|
| Name | BIS-ENT-LABDA-8(17),13-DIEN-15-YL-MALONATE |
| Compound Number | 4 |
| 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/h21-22,34-37H,3-4,11-20,23-29H2,1-2,5-10H3/b30-21+,31-22+/t34-,35-,36+,37+,42+,43+/m1/s1 |
| InChIKey | LJWGOJDJBMDNFY-SVHLFEAGSA-N |
| Literature Reference Author | U.LANGENBAHN,G.BURKHARDT,H.BECKER |
| Literature Reference Citation | PHYTOCHEM.,33,1173(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85044-R |
| Molecular Weight | 649.011 g/mol |
| Solvent | CDCl3 |