| SpectraBase Compound ID | 1b1sm3XFeYo |
|---|---|
| InChI | InChI=1S/C36H53N7O8/c1-5-22(4)30-34(49)39-24(18-23-11-7-6-8-12-23)31(46)37-19-29(45)38-26(20-44)32(47)40-25(17-21(2)3)35(50)43-16-10-14-28(43)36(51)42-15-9-13-27(42)33(48)41-30/h6-8,11-12,21-22,24-28,30,44H,5,9-10,13-20H2,1-4H3,(H,37,46)(H,38,45)(H,39,49)(H,40,47)(H,41,48)/t22?,24-,25+,26-,27+,28+,30+/m0/s1 |
| InChIKey | WDMPLDBBPHPZPY-VLTRBWHKSA-N |
| Mol Weight | 711.9 g/mol |
| Molecular Formula | C36H53N7O8 |
| Exact Mass | 711.395562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3T3rQBtdphA |
|---|---|
| Name | DIANTHIN-D;CYCLO-(GLY-(1)-SER-(2)-LEU-(3)-PRO-(4)-PRO-(59-ILE-(6)-PHE-(7)) |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53N7O8 |
| InChI | InChI=1S/C36H53N7O8/c1-5-22(4)30-34(49)39-24(18-23-11-7-6-8-12-23)31(46)37-19-29(45)38-26(20-44)32(47)40-25(17-21(2)3)35(50)43-16-10-14-28(43)36(51)42-15-9-13-27(42)33(48)41-30/h6-8,11-12,21-22,24-28,30,44H,5,9-10,13-20H2,1-4H3,(H,37,46)(H,38,45)(H,39,49)(H,40,47)(H,41,48)/t22?,24-,25+,26-,27+,28+,30+/m0/s1 |
| InChIKey | WDMPLDBBPHPZPY-VLTRBWHKSA-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 | 711.859 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8085 |