| SpectraBase Compound ID | JW8n31IvTep |
|---|---|
| InChI | InChI=1S/C36H48N6O7/c1-5-22(4)31-35(48)41-30(21(2)3)34(47)38-26(18-24-13-15-25(43)16-14-24)32(45)39-27(19-23-10-7-6-8-11-23)36(49)42-17-9-12-28(42)33(46)37-20-29(44)40-31/h6-8,10-11,13-16,21-22,26-28,30-31,43H,5,9,12,17-20H2,1-4H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)(H,41,48)/t22?,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | HYJVANPNJUWJBY-KVXRGGAUSA-N |
| Mol Weight | 676.8 g/mol |
| Molecular Formula | C36H48N6O7 |
| Exact Mass | 676.358448 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JsVMSrhkk68 |
|---|---|
| Name | DIANTHIN-C;CYCLO-(GLY-(1)-PRO-(2)-PHE-(3)-TYR-(4)-VAL-(5)-ILE-(6)) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H48N6O7 |
| InChI | InChI=1S/C36H48N6O7/c1-5-22(4)31-35(48)41-30(21(2)3)34(47)38-26(18-24-13-15-25(43)16-14-24)32(45)39-27(19-23-10-7-6-8-11-23)36(49)42-17-9-12-28(42)33(46)37-20-29(44)40-31/h6-8,10-11,13-16,21-22,26-28,30-31,43H,5,9,12,17-20H2,1-4H3,(H,37,46)(H,38,47)(H,39,45)(H,40,44)(H,41,48)/t22?,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey | HYJVANPNJUWJBY-KVXRGGAUSA-N |
| Literature Reference Author | P.W.HSIEH,F.R.CHANG,C.C.WU,K.Y.WU,C.M.LI,S.L.CHEN,Y.W.WU |
| Literature Reference Citation | J.NAT.PROD.,67,1522(2004) |
| Literature Reference DOI | 10.1021/np040036v |
| Molecular Weight | 676.813 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8084 |