| SpectraBase Compound ID | H9WmcdBQZdx |
|---|---|
| InChI | InChI=1S/C33H56O/c1-13-33(12,21-19-31(11)30(10)17-16-29(9)25(4)5)20-18-27(7)23-32(34)22-26(6)14-15-28(8)24(2)3/h13,18,20,26-29,31H,1-2,4,10,14-17,19,21-23H2,3,5-9,11-12H3/b20-18+ |
| InChIKey | KTULAUOJYAWTGC-CZIZESTLSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C33H56O |
| Exact Mass | 468.433116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ffRZvp7eyD |
|---|---|
| Name | BOTRYOCOCCENONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H56O |
| InChI | InChI=1S/C33H56O/c1-13-33(12,21-19-31(11)30(10)17-16-29(9)25(4)5)20-18-27(7)23-32(34)22-26(6)14-15-28(8)24(2)3/h13,18,20,26-29,31H,1-2,4,10,14-17,19,21-23H2,3,5-9,11-12H3/b20-18+ |
| InChIKey | KTULAUOJYAWTGC-CZIZESTLSA-N |
| Literature Reference Author | R.E.SUMMONS,R.J.CAPON |
| Literature Reference Citation | AUSTR.J.CHEM.,44,313(1991) |
| Literature Reference DOI | 10.1071/ch9910313 |
| Molecular Weight | 468.807 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRH995 |