| SpectraBase Compound ID | 23Xaj9SJs80 |
|---|---|
| InChI | InChI=1S/C22H36O3/c1-16-8-11-19-21(2,3)12-7-13-22(19,4)18(16)10-9-17(15-23)14-20(24-5)25-6/h9,15,18-20H,1,7-8,10-14H2,2-6H3/b17-9+/t18-,19-,22+/m0/s1 |
| InChIKey | KUJKCZZRNAACDH-IEPFJFGQSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C22H36O3 |
| Exact Mass | 348.266445 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QBVv5b0RpP |
|---|---|
| Name | CALCARATARIN-A;(E)-LABDA-8(17),12-DIEN-15,15-DIMETHOXY-16-AL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H36O3 |
| InChI | InChI=1S/C22H36O3/c1-16-8-11-19-21(2,3)12-7-13-22(19,4)18(16)10-9-17(15-23)14-20(24-5)25-6/h9,15,18-20H,1,7-8,10-14H2,2-6H3/b17-9+/t18-,19-,22+/m0/s1 |
| InChIKey | KUJKCZZRNAACDH-IEPFJFGQSA-N |
| Literature Reference Author | L.Y.KONG,M.J.QIN,M.NIWA |
| Literature Reference Citation | J.NAT.PROD.,63,939(2000) |
| Literature Reference DOI | 10.1021/np9904962 |
| Molecular Weight | 348.526 g/mol |
| Solvent | CDCl3 |