| SpectraBase Compound ID | 2AqZ0ckDczT |
|---|---|
| InChI | InChI=1S/C36H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-33(37)40-28-25-29(2)21-23-31-30(3)22-24-32-35(31,4)26-19-27-36(32,5)34(38)39/h25,31-32H,3,6-24,26-28H2,1-2,4-5H3,(H,38,39)/b29-25+/t31-,32+,35+,36-/m0/s1 |
| InChIKey | SGAADCNNYNPMPZ-MVMHHIFMSA-N |
| Mol Weight | 558.9 g/mol |
| Molecular Formula | C36H62O4 |
| Exact Mass | 558.46481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KLunjP5v6bN |
|---|---|
| Name | LABDA-8(17),13-(E)-DIEN-19-CARBOXY-15-YL-PALMITATE |
| Compound Number | 1OB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H62O4 |
| InChI | InChI=1S/C36H62O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-33(37)40-28-25-29(2)21-23-31-30(3)22-24-32-35(31,4)26-19-27-36(32,5)34(38)39/h25,31-32H,3,6-24,26-28H2,1-2,4-5H3,(H,38,39)/b29-25+/t31-,32+,35+,36-/m0/s1 |
| InChIKey | SGAADCNNYNPMPZ-MVMHHIFMSA-N |
| Literature Reference Author | M.P.POPOVA,I.B.CHINOU,I.N.MAREKOV,V.S.BANKOVA |
| Literature Reference Citation | PHYTOCHEM.,70,1262(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.07.025 |
| Molecular Weight | 558.886 g/mol |
| Sample ID | 45578 |
| Solvent | CDCl3 |