| SpectraBase Compound ID | DSBs9tQ2Xa1 |
|---|---|
| InChI | InChI=1S/C27H32O5/c1-18-11-12-22-21(10-7-14-26(22,2)25(29)30)27(18,3)16-23(20-13-15-31-17-20)32-24(28)19-8-5-4-6-9-19/h4-6,8-9,13,15,17-18,23H,7,10-12,14,16H2,1-3H3,(H,29,30) |
| InChIKey | OMKNTJBUDYZWHX-UHFFFAOYSA-N |
| Mol Weight | 436.5 g/mol |
| Molecular Formula | C27H32O5 |
| Exact Mass | 436.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IotaDkcb1A3 |
|---|---|
| Name | 12-BENZOYLOXY-CROTOHALIMANEIC_ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O5 |
| InChI | InChI=1S/C27H32O5/c1-18-11-12-22-21(10-7-14-26(22,2)25(29)30)27(18,3)16-23(20-13-15-31-17-20)32-24(28)19-8-5-4-6-9-19/h4-6,8-9,13,15,17-18,23H,7,10-12,14,16H2,1-3H3,(H,29,30) |
| InChIKey | OMKNTJBUDYZWHX-UHFFFAOYSA-N |
| Literature Reference Author | S.ROENGSUMRAN,S.PORNPAKAKUL,N.MUANGSIN,P.SANGVANICH,T.NHUJAK ,P.SINGTOTHONG,N.CHA |
| Literature Reference Citation | PLANTA.MED.,70,87(2004) |
| Literature Reference DOI | 10.1055/s-2004-815466 |
| Molecular Weight | 436.548 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ48271 |