| SpectraBase Compound ID | 6tkUANOsk96 |
|---|---|
| InChI | InChI=1S/C22H25NO5/c1-11-9-16(24)19-12(2)15-10-17(22(3,4)20(19)18(11)15)28-21(25)13-5-7-14(8-6-13)23(26)27/h5-8,11,15,17-20H,2,9-10H2,1,3-4H3/t11-,15?,17+,18+,19+,20?/m0/s1 |
| InChIKey | XNPFIRVKDMKWKO-GTRCEPSXSA-N |
| Mol Weight | 383.44 g/mol |
| Molecular Formula | C22H25NO5 |
| Exact Mass | 383.173273 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7fiewpeDSOw |
|---|---|
| Name | 4-EPI-MORELI-9-EN-7-BETA-OL-2-ONE-PARA-NITROBENZOATE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H25NO5 |
| InChI | InChI=1S/C22H25NO5/c1-11-9-16(24)19-12(2)15-10-17(22(3,4)20(19)18(11)15)28-21(25)13-5-7-14(8-6-13)23(26)27/h5-8,11,15,17-20H,2,9-10H2,1,3-4H3/t11-,15?,17+,18+,19+,20?/m0/s1 |
| InChIKey | XNPFIRVKDMKWKO-GTRCEPSXSA-N |
| Literature Reference Author | L.U.ROMAN,J.D.HERNANDEZ,C.M.CERDA-GARCIA-ROJAS,R.M.DOMINGUEZ -LOPEZ,P.JOSEPH-NATH |
| Literature Reference Citation | J.NAT.PROD.,55,577(1992) |
| Literature Reference DOI | 10.1021/np50083a004 |
| Molecular Weight | 383.444 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4285 |