| SpectraBase Compound ID | 1quC6Z9Eoat |
|---|---|
| InChI | InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+ |
| InChIKey | ANCCRFGXJYBRIW-SKQHXPRYSA-N |
| Mol Weight | 424.8 g/mol |
| Molecular Formula | C31H52 |
| Exact Mass | 424.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKe0IvTRnaX |
|---|---|
| Name | METHYLSQUALENE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H52 |
| InChI | InChI=1S/C31H52/c1-25(2)15-12-18-29(7)21-13-19-27(5)16-10-11-17-28(6)20-14-22-30(8)23-24-31(9)26(3)4/h15-17,21-22,31H,3,10-14,18-20,23-24H2,1-2,4-9H3/b27-16+,28-17+,29-21+,30-22+ |
| InChIKey | ANCCRFGXJYBRIW-SKQHXPRYSA-N |
| Literature Reference Author | E.ACHITOUV,P.METZGER,M.N.RAGER,C.LARGEAU |
| Literature Reference Citation | PHYTOCHEM.,65,3159(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.09.015 |
| Molecular Weight | 424.754 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25620 |