| SpectraBase Compound ID | 13mLhjy2Ydt |
|---|---|
| InChI | InChI=1S/C31H54N4O7S/c1-11-12-22(41-10)14-13-19(3)24-30(6,7)28(39)33-20(4)26-34-31(8,17-43-26)29(40)35(9)23(18(2)15-16-36)25(37)32-21(5)27(38)42-24/h18-24,36H,11-17H2,1-10H3,(H,32,37)(H,33,39)/t18-,19+,20+,21+,22-,23+,24+,31?/m1/s1 |
| InChIKey | YPKOTXFXOPMNCS-WGTVFQNHSA-N |
| Mol Weight | 626.9 g/mol |
| Molecular Formula | C31H54N4O7S |
| Exact Mass | 626.371321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AcRiIxxFNvm |
|---|---|
| Name | HALIPEPTIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H54N4O7S |
| InChI | InChI=1S/C31H54N4O7S/c1-11-12-22(41-10)14-13-19(3)24-30(6,7)28(39)33-20(4)26-34-31(8,17-43-26)29(40)35(9)23(18(2)15-16-36)25(37)32-21(5)27(38)42-24/h18-24,36H,11-17H2,1-10H3,(H,32,37)(H,33,39)/t18-,19+,20+,21+,22-,23+,24+,31?/m1/s1 |
| InChIKey | YPKOTXFXOPMNCS-WGTVFQNHSA-N |
| Literature Reference Author | A.RANDAZZO,G.BIFULCO,C.GIANNINI,M.BUCCI,C.DEBITUS,G.CIRINO,L .GOMEZ-PALOMA |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,10870(2001) |
| Literature Reference DOI | 10.1021/ja010015c |
| Molecular Weight | 626.852 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU30807 |