| SpectraBase Compound ID | Ju1YWZSPKMw |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-11(23)26-17-16-15-14(8-7-13-6-5-9-22(3,4)10-13)18(25)28-19(15)29-20(16)30-21(17)27-12(2)24/h7-8,15-17,19-21H,5-6,9-10H2,1-4H3/b13-7+,14-8-/t15?,16?,17-,19?,20?,21-/m1/s1 |
| InChIKey | LJWUZALDGBNRAU-XACBPSOKSA-N |
| Mol Weight | 420.46 g/mol |
| Molecular Formula | C22H28O8 |
| Exact Mass | 420.178418 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aATZPBjFhR |
|---|---|
| Name | GRACILIN-B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O8 |
| InChI | InChI=1S/C22H28O8/c1-11(23)26-17-16-15-14(8-7-13-6-5-9-22(3,4)10-13)18(25)28-19(15)29-20(16)30-21(17)27-12(2)24/h7-8,15-17,19-21H,5-6,9-10H2,1-4H3/b13-7+,14-8-/t15?,16?,17-,19?,20?,21-/m1/s1 |
| InChIKey | LJWUZALDGBNRAU-XACBPSOKSA-N |
| Literature Reference Author | L.MAYOL,V.PICCIALLI,D.SICA |
| Literature Reference Citation | J.NAT.PROD.,49,823(1986) |
| Literature Reference DOI | 10.1021/np50047a010 |
| Molecular Weight | 420.460 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17174 |