| SpectraBase Compound ID | Inq6UJJlzNp |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16+,17-,20+/m0/s1 |
| InChIKey | WCYYIFXENZTEHA-IEVCPYEKSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UjiSUf2BuH |
|---|---|
| Name | CALCARATARIN-D;14-EPI-ISOCORONARIN-D;LABDA-8(17),12-DIEN-14-ALPHA-OL-16(15)-OLIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13-6-9-17-19(2,3)10-5-11-20(17,4)15(13)8-7-14-16(21)12-23-18(14)22/h7,15-17,21H,1,5-6,8-12H2,2-4H3/b14-7+/t15-,16+,17-,20+/m0/s1 |
| InChIKey | WCYYIFXENZTEHA-IEVCPYEKSA-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 | 318.456 g/mol |
| Solvent | CDCl3 |