| SpectraBase Compound ID | 7F8T29Dub4N |
|---|---|
| InChI | InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | VRRHHTISESGZFN-RKFFNLMFSA-N |
| Mol Weight | 312.45 g/mol |
| Molecular Formula | C21H28O2 |
| Exact Mass | 312.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9rZ3zzqyLGJ |
|---|---|
| Name | PREGNA-4,16-DIENE-3,20-DIONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O2 |
| InChI | InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 |
| InChIKey | VRRHHTISESGZFN-RKFFNLMFSA-N |
| Literature Reference Author | Y.SCHUN,G.A.CORDELL |
| Literature Reference Citation | J.NAT.PROD.,50,195(1987) |
| Literature Reference DOI | 10.1021/np50050a012 |
| Molecular Weight | 312.452 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW20635 |