| SpectraBase Compound ID | 4n4RSOriw5D |
|---|---|
| InChI | InChI=1S/C25H35ClO8/c1-5-6-7-8-9-10-14-25-15-18(26)22(30)21(25)24(33-17(3)28)23(34-25)19(32-16(2)27)12-11-13-20(29)31-4/h9-10,15,19,21,23-24H,5-8,11-14H2,1-4H3/b10-9-/t19-,21-,23-,24-,25-/m0/s1 |
| InChIKey | BLNQJONHRXMQBH-GZZNKORESA-N |
| Mol Weight | 499.0 g/mol |
| Molecular Formula | C25H35ClO8 |
| Exact Mass | 498.202046 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyNfyr6cYSU |
|---|---|
| Name | CARIJENONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35ClO8 |
| InChI | InChI=1S/C25H35ClO8/c1-5-6-7-8-9-10-14-25-15-18(26)22(30)21(25)24(33-17(3)28)23(34-25)19(32-16(2)27)12-11-13-20(29)31-4/h9-10,15,19,21,23-24H,5-8,11-14H2,1-4H3/b10-9-/t19-,21-,23-,24-,25-/m0/s1 |
| InChIKey | BLNQJONHRXMQBH-GZZNKORESA-N |
| Literature Reference Author | E.DORTA,A.DIAZ-MARRERO,M.CUETO,L.D.CROZ,J.L.MATE,J.DARIAS |
| Literature Reference Citation | ORG.LETTERS,6,2229(2004) |
| Literature Reference DOI | 10.1021/ol049287l |
| Molecular Weight | 499.001 g/mol |
| Sample ID | 52397 |
| Solvent | CDCl3 |