| SpectraBase Compound ID | 4JFLkjB9yhk |
|---|---|
| InChI | InChI=1S/C20H32O8/c1-11(21)19(5,24)16(23)27-15-7-8-18(4)10-13(22)12(17(2,3)28-26)9-14(18)20(15,6)25/h9,11,14-15,21,24-26H,7-8,10H2,1-6H3/t11?,14-,15+,18-,19?,20+/m1/s1 |
| InChIKey | MLLOCJWECGZDNQ-QEDLFLBPSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C20H32O8 |
| Exact Mass | 400.209718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C569B0bpvFD |
|---|---|
| Name | ODONTICIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32O8 |
| InChI | InChI=1S/C20H32O8/c1-11(21)19(5,24)16(23)27-15-7-8-18(4)10-13(22)12(17(2,3)28-26)9-14(18)20(15,6)25/h9,11,14-15,21,24-26H,7-8,10H2,1-6H3/t11?,14-,15+,18-,19?,20+/m1/s1 |
| InChIKey | MLLOCJWECGZDNQ-QEDLFLBPSA-N |
| Literature Reference Author | V.U.AHMAD,K.FIZZA,A.U.R.AMBER |
| Literature Reference Citation | J.NAT.PROD.,52,861(1989) |
| Literature Reference DOI | 10.1021/np50064a034 |
| Molecular Weight | 400.469 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED18114 |