| SpectraBase Compound ID | 3TAvAViwYan |
|---|---|
| InChI | InChI=1S/C36H51N7O8/c1-20(2)28-35(50)43-18-10-15-27(43)34(49)41-16-8-13-25(41)32(47)37-21(3)30(45)40-29(22(4)44)36(51)42-17-9-14-26(42)33(48)38-24(31(46)39-28)19-23-11-6-5-7-12-23/h5-7,11-12,20-22,24-29,44H,8-10,13-19H2,1-4H3,(H,37,47)(H,38,48)(H,39,46)(H,40,45)/t21-,22?,24-,25+,26-,27-,28-,29-/m0/s1 |
| InChIKey | ZLFKJRJBRWMMMG-QBKRXPJASA-N |
| Mol Weight | 709.8 g/mol |
| Molecular Formula | C36H51N7O8 |
| Exact Mass | 709.379912 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JtT1zEUJ7Q2 |
|---|---|
| Name | EURYJANICIN_B;CYCLO-(-ALA-THR-PRO-PHE-VAL-PRO-PRO-) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H51N7O8 |
| InChI | InChI=1S/C36H51N7O8/c1-20(2)28-35(50)43-18-10-15-27(43)34(49)41-16-8-13-25(41)32(47)37-21(3)30(45)40-29(22(4)44)36(51)42-17-9-14-26(42)33(48)38-24(31(46)39-28)19-23-11-6-5-7-12-23/h5-7,11-12,20-22,24-29,44H,8-10,13-19H2,1-4H3,(H,37,47)(H,38,48)(H,39,46)(H,40,45)/t21-,22?,24-,25+,26-,27-,28-,29-/m0/s1 |
| InChIKey | ZLFKJRJBRWMMMG-QBKRXPJASA-N |
| Literature Reference Author | B.VERA,J.VICENTE,A.D.RODRIGUEZ |
| Literature Reference Citation | J.NAT.PROD.,72,1555(2009) |
| Literature Reference DOI | 10.1021/np9004135 |
| Molecular Weight | 709.843 g/mol |
| Sample ID | 33445 |
| Solvent | CDCl3 |