| SpectraBase Compound ID | KgsahMPHPRq |
|---|---|
| InChI | InChI=1S/C20H28O4/c1-12-13-5-9-20(23)18(2,7-4-8-19(20,3)17(21)22)15(13)11-16-14(12)6-10-24-16/h6,10,12-13,15,23H,4-5,7-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,18-,19-,20+/m1/s1 |
| InChIKey | SWWBGUDLCYBCKU-FBZMMNSESA-N |
| Mol Weight | 332.44 g/mol |
| Molecular Formula | C20H28O4 |
| Exact Mass | 332.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1K6GyFBySux |
|---|---|
| Name | DEMETHYLCAESALDEKARIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H28O4 |
| InChI | InChI=1S/C20H28O4/c1-12-13-5-9-20(23)18(2,7-4-8-19(20,3)17(21)22)15(13)11-16-14(12)6-10-24-16/h6,10,12-13,15,23H,4-5,7-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,18-,19-,20+/m1/s1 |
| InChIKey | SWWBGUDLCYBCKU-FBZMMNSESA-N |
| Literature Reference Author | D.L.LYDER,S.R.PETER,W.F.TINTO,S.M.BISSADA,S.MCLEAN,W.F.REYNO LDS |
| Literature Reference Citation | J.NAT.PROD.,61,1462(1998) |
| Literature Reference DOI | 10.1021/np980198p |
| Molecular Weight | 332.440 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1206 |