| SpectraBase Compound ID | KRTy9csTqg8 |
|---|---|
| InChI | InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18?,20-,21+,22-,24+,25-/m0/s1 |
| InChIKey | NHNDCMROOPKDNF-DEQORZITSA-N |
| Mol Weight | 600.7 g/mol |
| Molecular Formula | C30H44N6O7 |
| Exact Mass | 600.327148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 32PVBjrrdJq |
|---|---|
| Name | DIANTHIN-E;CYCLO-(GLY-(1)-PRO-(2)-ILE-(3)-SER-(4)-PHE-(5)-VAL-(6)) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H44N6O7 |
| InChI | InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18?,20-,21+,22-,24+,25-/m0/s1 |
| InChIKey | NHNDCMROOPKDNF-DEQORZITSA-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 | 600.715 g/mol |
| Solvent | C5D5N |
| SpectraBase Batch ID | FwUxNCoI7PG |