| SpectraBase Compound ID | VXhgTh3sKn |
|---|---|
| InChI | InChI=1S/C22H35NO5/c1-4-23-9-11-12-6-14-20(23)22(12,17(28-3)7-15(11)24)13-5-10-16(27-2)8-21(14,26)18(13)19(10)25/h10-20,24-26H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | YEOLFWLRGOEFNZ-VGTDOTHBSA-N |
| Mol Weight | 393.5 g/mol |
| Molecular Formula | C22H35NO5 |
| Exact Mass | 393.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6r6z44VPzz5 |
|---|---|
| Name | ACOTOXICINE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H35NO5 |
| InChI | InChI=1S/C22H35NO5/c1-4-23-9-11-12-6-14-20(23)22(12,17(28-3)7-15(11)24)13-5-10-16(27-2)8-21(14,26)18(13)19(10)25/h10-20,24-26H,4-9H2,1-3H3/t10-,11+,12-,13-,14+,15-,16+,17+,18-,19+,20+,21+,22+/m1/s1 |
| InChIKey | YEOLFWLRGOEFNZ-VGTDOTHBSA-N |
| Literature Reference Author | D.CSUPOR,P.FORGO,E.M.WENZIG,R.BAUER,J.HOHMANN |
| Literature Reference Citation | J.NAT.PROD.,71,1779(2008) |
| Literature Reference DOI | 10.1021/np800322q |
| Molecular Weight | 393.524 g/mol |
| Sample ID | 29208 |
| Solvent | CDCl3 |