| SpectraBase Compound ID | CZSqwy1ZK5z |
|---|---|
| InChI | InChI=1S/C27H38O5/c1-18(8-9-20-16-21(28)15-19(2)24(20)31)14-22(29)17-26(5)11-7-12-27(26,6)23(30)10-13-25(3,4)32/h8,10,13,15-16,28,31-32H,7,9,11-12,14,17H2,1-6H3/b13-10+,18-8+/t26-,27+/m0/s1 |
| InChIKey | FQAVDMGXIIRPLM-ZKXTZASZSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZvIWDeb8qE |
|---|---|
| Name | BIFURCARENONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/c1-18(8-9-20-16-21(28)15-19(2)24(20)31)14-22(29)17-26(5)11-7-12-27(26,6)23(30)10-13-25(3,4)32/h8,10,13,15-16,28,31-32H,7,9,11-12,14,17H2,1-6H3/b13-10+,18-8+/t26-,27+/m0/s1 |
| InChIKey | FQAVDMGXIIRPLM-ZKXTZASZSA-N |
| Literature Reference Author | V.MESGUICHE,R.VALLS,L.PIOVETTI,B.BANAIGS |
| Literature Reference Citation | PHYTOCHEM.,45,1489(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00155-6 |
| Molecular Weight | 442.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP460 |