| SpectraBase Compound ID | 1ajSpse47k9 |
|---|---|
| InChI | InChI=1S/C22H32O7/c1-11-10-16-18-17-14(6-8-21(18,4)27-13(3)23)12(2)20(24)28-22(5,19(17)26-16)9-7-15(11)29-25/h12,14-19,25H,1,6-10H2,2-5H3/t12-,14+,15-,16+,17+,18+,19+,21-,22+/m1/s1 |
| InChIKey | FRLNJCYJMRBLCV-QKAGPBIOSA-N |
| Mol Weight | 408.5 g/mol |
| Molecular Formula | C22H32O7 |
| Exact Mass | 408.214803 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QibePUeiaP |
|---|---|
| Name | BRIARELLIN-K-HYDROPEROXIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O7 |
| InChI | InChI=1S/C22H32O7/c1-11-10-16-18-17-14(6-8-21(18,4)27-13(3)23)12(2)20(24)28-22(5,19(17)26-16)9-7-15(11)29-25/h12,14-19,25H,1,6-10H2,2-5H3/t12-,14+,15-,16+,17+,18+,19+,21-,22+/m1/s1 |
| InChIKey | FRLNJCYJMRBLCV-QKAGPBIOSA-N |
| Literature Reference Author | C.A.OSPINA,A.D.RODRIGUEZ,E.ORTEGA-BARRIA,T.L.CAPSON |
| Literature Reference Citation | J.NAT.PROD.,66,357(2003) |
| Literature Reference DOI | 10.1021/np0204500 |
| Molecular Weight | 408.492 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI4619 |