| SpectraBase Compound ID | KGU9A9D6P6O |
|---|---|
| InChI | InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21-,22+,23+/m1/s1 |
| InChIKey | XXDIJWSZFWZBRM-CKRZXURPSA-N |
| Mol Weight | 402.5 g/mol |
| Molecular Formula | C24H34O5 |
| Exact Mass | 402.240624 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ndQVTmGwWu |
|---|---|
| Name | MACROLACTIN_A;LITERATURE_DATA |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H34O5 |
| InChI | InChI=1S/C24H34O5/c1-20-13-7-3-2-4-8-16-22(26)19-23(27)17-11-5-9-14-21(25)15-10-6-12-18-24(28)29-20/h2,4-6,8-12,14,16,18,20-23,25-27H,3,7,13,15,17,19H2,1H3/b4-2+,10-6+,11-5-,14-9+,16-8+,18-12-/t20-,21-,22+,23+/m1/s1 |
| InChIKey | XXDIJWSZFWZBRM-CKRZXURPSA-N |
| Literature Reference Author | K.SCHNEIDER,X.H.CHEN,J.VATER,P.FRANKE,G.NICHOLSON,R.BORRISS, R.D.SUESSMUTH |
| Literature Reference Citation | J.NAT.PROD.,70,1417(2007) |
| Literature Reference DOI | 10.1021/np070070k |
| Molecular Weight | 402.531 g/mol |
| Sample ID | 31505 |
| Solvent | CD3OD |