| SpectraBase Compound ID | 3yIT6nhNkzU |
|---|---|
| InChI | InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19?,20-,21+,24+,25+,26+,28+/m1/s1 |
| InChIKey | NHGPGFIEZTYBBN-GTBKNNTQSA-N |
| Mol Weight | 719.8 g/mol |
| Molecular Formula | C36H53N3O12 |
| Exact Mass | 719.362924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | UYRuFaInW0 |
|---|---|
| Name | KITASTATIN_A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H53N3O12 |
| InChI | InChI=1S/C36H53N3O12/c1-11-19(6)28-31(43)38-24(15-17(2)3)29(41)36(9,10)35(47)50-25(16-18(4)5)33(45)48-20(7)26(34(46)49-21(8)32(44)51-28)39-30(42)22-13-12-14-23(37)27(22)40/h12-14,17-21,24-26,28,40H,11,15-16,37H2,1-10H3,(H,38,43)(H,39,42)/t19?,20-,21+,24+,25+,26+,28+/m1/s1 |
| InChIKey | NHGPGFIEZTYBBN-GTBKNNTQSA-N |
| Literature Reference Author | G.R.PETTIT,R.TAN,R.K.PETTIT,T.H.SMITH,S.FENG,D.L.DOUBEK,L.RI CHERT,J.HAMBLIN,C.WE |
| Literature Reference Citation | J.NAT.PROD.,70,1069(2007) |
| Literature Reference DOI | 10.1021/np068072c |
| Molecular Weight | 719.830 g/mol |
| Sample ID | 30569 |
| Solvent | CD2Cl2 |