| SpectraBase Compound ID | B5o6r584TGu |
|---|---|
| InChI | InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-35(39)42-30-27-31(2)23-25-33-32(3)24-26-34-37(33,4)28-21-29-38(34,5)36(40)41/h13-14,27,33-34H,3,6-12,15-26,28-30H2,1-2,4-5H3,(H,40,41)/b14-13-,31-27+/t33-,34+,37+,38-/m0/s1 |
| InChIKey | QPJHXFZKKVBKCC-XJFGWLQTSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C38H64O4 |
| Exact Mass | 584.480461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UgGdsYL26l |
|---|---|
| Name | LABDA-8(17),13-(E)-DIEN-19-CARBOXY-15-YL-OLEATE |
| Compound Number | 1OA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64O4 |
| InChI | InChI=1S/C38H64O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-35(39)42-30-27-31(2)23-25-33-32(3)24-26-34-37(33,4)28-21-29-38(34,5)36(40)41/h13-14,27,33-34H,3,6-12,15-26,28-30H2,1-2,4-5H3,(H,40,41)/b14-13-,31-27+/t33-,34+,37+,38-/m0/s1 |
| InChIKey | QPJHXFZKKVBKCC-XJFGWLQTSA-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 | 584.924 g/mol |
| Sample ID | 45577 |
| Solvent | CDCl3 |