| SpectraBase Compound ID | 5HugKqVkkMs |
|---|---|
| InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1 |
| InChIKey | MXYATHGRPJZBNA-KRFUXDQASA-N |
| Mol Weight | 302.46 g/mol |
| Molecular Formula | C20H30O2 |
| Exact Mass | 302.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2AGoj3IwbZ |
|---|---|
| Name | ISOPIMARIC_ACID |
| CAS Registry Number | 5835-26-7 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O2 |
| InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1 |
| InChIKey | MXYATHGRPJZBNA-KRFUXDQASA-N |
| Literature Reference Author | J.ZAUGG,S.KHOM,D.EIGENMANN,I.BABURIN,M.HAMBURGER,S.HERING |
| Literature Reference Citation | J.NAT.PROD.,74,1764(2011) |
| Literature Reference DOI | 10.1021/np200317p |
| Molecular Weight | 302.457 g/mol |
| Sample ID | 39119 |
| Solvent | CDCl3 |