| SpectraBase Compound ID | 66BUBQ2KBML |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-13-8-15(25)9-18-21(4)7-6-20(3,19(26)12-23)10-16(21)17(27-14(2)24)11-22(13,18)5/h8,16-19,23,26H,6-7,9-12H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | AKGPGMWXHSRVTN-LVXVCZMBSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPMhnYexGRc |
|---|---|
| Name | 7-BETA-O-ACETYL-2-OXO-5-EPI-FAGONENE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-13-8-15(25)9-18-21(4)7-6-20(3,19(26)12-23)10-16(21)17(27-14(2)24)11-22(13,18)5/h8,16-19,23,26H,6-7,9-12H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+/m1/s1 |
| InChIKey | AKGPGMWXHSRVTN-LVXVCZMBSA-N |
| Literature Reference Author | M.A.ABDEL-KADER,A.A.OMAR,N.A.ABDEL-SALAM,F.R.STERMITZ |
| Literature Reference Citation | PHYTOCHEM.,36,1431(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89736-8 |
| Molecular Weight | 378.509 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26380 |