| SpectraBase Compound ID | LR5sWMtkyiJ |
|---|---|
| InChI | InChI=1S/C36H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2-5,8,11,14,17,20,23,26-35H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24- |
| InChIKey | NRPWHBCRROQPAM-QAYSHOGESA-N |
| Mol Weight | 522.9 g/mol |
| Molecular Formula | C36H58O2 |
| Exact Mass | 522.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KWQaXGzX0s |
|---|---|
| Name | ALL-(Z)-HEXATRIACONTA-12,15,18,21,24,27,30-HEPTAENOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O2 |
| InChI | InChI=1S/C36H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36(37)38/h6-7,9-10,12-13,15-16,18-19,21-22,24-25H,2-5,8,11,14,17,20,23,26-35H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-,25-24- |
| InChIKey | NRPWHBCRROQPAM-QAYSHOGESA-N |
| Literature Reference Author | T.REZANKA,L.NEDBALOVA,K.SIGLER |
| Literature Reference Citation | PHYTOCHEM.,69,2391(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.06.011 |
| Molecular Weight | 522.855 g/mol |
| Sample ID | 63765 |
| Solvent | CDCl3 |