| SpectraBase Compound ID | GIt0kYZxjmy |
|---|---|
| InChI | InChI=1S/C36H53N7O10S/c1-7-20(2)29-36(51)43-16-11-14-27(43)35(50)41-25(18-23-12-9-8-10-13-23)34(49)40-26(19-28(44)53-5)33(48)38-21(3)30(45)39-24(15-17-54(6)52)32(47)37-22(4)31(46)42-29/h8-10,12-13,20-22,24-27,29H,7,11,14-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t20?,21-,22-,24-,25-,26-,27-,29-,54?/m0/s1 |
| InChIKey | ZBIJFJOAXJXGTR-DKCBCISTSA-N |
| Mol Weight | 775.9 g/mol |
| Molecular Formula | C36H53N7O10S |
| Exact Mass | 775.357462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J8eMQpGEiP |
|---|---|
| Name | PHAKELLISTATIN_14;PHE-BETA-O-ME-ASP-ALA-(1)-MET-(SO)-ALA-(2)-ILE-PRO;CHIRAL_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53N7O10S |
| InChI | InChI=1S/C36H53N7O10S/c1-7-20(2)29-36(51)43-16-11-14-27(43)35(50)41-25(18-23-12-9-8-10-13-23)34(49)40-26(19-28(44)53-5)33(48)38-21(3)30(45)39-24(15-17-54(6)52)32(47)37-22(4)31(46)42-29/h8-10,12-13,20-22,24-27,29H,7,11,14-19H2,1-6H3,(H,37,47)(H,38,48)(H,39,45)(H,40,49)(H,41,50)(H,42,46)/t20?,21-,22-,24-,25-,26-,27-,29-,54?/m0/s1 |
| InChIKey | ZBIJFJOAXJXGTR-DKCBCISTSA-N |
| Literature Reference Author | G.RPETTIT,R.TAN |
| Literature Reference Citation | J.NAT.PROD.,68,60(2005) |
| Literature Reference DOI | 10.1021/np040092w |
| Molecular Weight | 775.918 g/mol |
| Solvent | CD2Cl2 |
| Source File Reference | UWMZ8295 |