| SpectraBase Compound ID | 3JkAPQCZ9l1 |
|---|---|
| InChI | InChI=1S/C22H26N6O5S2/c1-8(2)14-21-24-12(6-34-21)17(30)23-9(3)20-28-16(11(5)33-20)19(32)27-15(10(4)29)22-25-13(7-35-22)18(31)26-14/h6-10,14-15,29H,1-5H3,(H,23,30)(H,26,31)(H,27,32)/t9-,10-,14-,15-/m1/s1 |
| InChIKey | BJJVHBJYOXGRRO-XEQNPHJVSA-N |
| Mol Weight | 518.61 g/mol |
| Molecular Formula | C22H26N6O5S2 |
| Exact Mass | 518.14061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 842PtDsFZh0 |
|---|---|
| Name | VENTURAMIDE_B;CYCLO-D-ALLO-THR-TZL-D-VAL-TZL-D-ALA-MOZL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N6O5S2 |
| InChI | InChI=1S/C22H26N6O5S2/c1-8(2)14-21-24-12(6-34-21)17(30)23-9(3)20-28-16(11(5)33-20)19(32)27-15(10(4)29)22-25-13(7-35-22)18(31)26-14/h6-10,14-15,29H,1-5H3,(H,23,30)(H,26,31)(H,27,32)/t9-,10-,14-,15-/m1/s1 |
| InChIKey | BJJVHBJYOXGRRO-XEQNPHJVSA-N |
| Literature Reference Author | R.G.LININGTON,J.GONZALEZ,L.D.URENA,L.I.ROMERO,E.ORTEGA-BARRI A,W.H.GERWICK |
| Literature Reference Citation | J.NAT.PROD.,70,397(2007) |
| Literature Reference DOI | 10.1021/np0605790 |
| Molecular Weight | 518.606 g/mol |
| Sample ID | 30045 |
| Solvent | CDCl3 |