| SpectraBase Compound ID | 2Qtx18K0axq |
|---|---|
| InChI | InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24?,25-,27+,28-,29-,32-/m0/s1 |
| InChIKey | HQEBGENSMXBRMP-YZURKTGCSA-N |
| Mol Weight | 671.9 g/mol |
| Molecular Formula | C36H57N5O7 |
| Exact Mass | 671.425799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55SqkG60srI |
|---|---|
| Name | SCOPULARIDE_A;CYCLO-(3-HYDROXY-4-METHYLDECANOYL-GLY-L-VYL-D-LEU-L-ALA-L-PHE) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H57N5O7 |
| InChI | InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24?,25-,27+,28-,29-,32-/m0/s1 |
| InChIKey | HQEBGENSMXBRMP-YZURKTGCSA-N |
| Literature Reference Author | Z.YU,G.LANG,I.KAJAHN,R.SCHMALJOHANN,J.F.IMHOFF |
| Literature Reference Citation | J.NAT.PROD.,71,1052(2008) |
| Literature Reference DOI | 10.1021/np070580e |
| Molecular Weight | 671.878 g/mol |
| Sample ID | 28100 |
| Solvent | CD3OD |