| SpectraBase Compound ID | IUNjsq3NTWB |
|---|---|
| InChI | InChI=1S/C36H56N4O9/c1-20(2)15-25-31(42)39-27(19-41)35(46)49-30(23(7)8)36(47)48-29(17-22(5)6)33(44)38-26(18-24-13-11-10-12-14-24)34(45)40(9)28(16-21(3)4)32(43)37-25/h10-14,20-23,25-30,41H,15-19H2,1-9H3,(H,37,43)(H,38,44)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | ITNSWMYMZKJXQE-WPMUBMLPSA-N |
| Mol Weight | 688.9 g/mol |
| Molecular Formula | C36H56N4O9 |
| Exact Mass | 688.404729 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYRBvi5hua4 |
|---|---|
| Name | TRICHODEPSIPEPTIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56N4O9 |
| InChI | InChI=1S/C36H56N4O9/c1-20(2)15-25-31(42)39-27(19-41)35(46)49-30(23(7)8)36(47)48-29(17-22(5)6)33(44)38-26(18-24-13-11-10-12-14-24)34(45)40(9)28(16-21(3)4)32(43)37-25/h10-14,20-23,25-30,41H,15-19H2,1-9H3,(H,37,43)(H,38,44)(H,39,42)/t25-,26-,27-,28-,29-,30-/m0/s1 |
| InChIKey | ITNSWMYMZKJXQE-WPMUBMLPSA-N |
| Literature Reference Author | A.A.SY-CORDERO,T.N.GRAF,A.F.ADCOCK,D.J.KROLL,Q.SHEN,S.M.SWAN SON,M.C.WANI,C.J.PEA |
| Literature Reference Citation | J.NAT.PROD.,74,2137(2011) |
| Literature Reference DOI | 10.1021/np2004243 |
| Molecular Weight | 688.862 g/mol |
| Sample ID | 39373 |
| Solvent | CDCl3 |