| SpectraBase Compound ID | ANlKI30s87Q |
|---|---|
| InChI | InChI=1S/C36H47ClN2O9/c1-21(2)17-28(40)36(44)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(41)39-27(34(42)38-20-22(3)35(43)46-6)19-24-15-16-30(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,40H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,41)/b14-10+/t22-,23+,27+,28+,29+,32-,33+/m1/s1 |
| InChIKey | XGAUXAIUGBBANH-KQPHDVISSA-N |
| Mol Weight | 687.2 g/mol |
| Molecular Formula | C36H47ClN2O9 |
| Exact Mass | 686.297009 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5P2W3Oe3cBN |
|---|---|
| Name | CRYPTOPHYCIN-E-METHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47ClN2O9 |
| InChI | InChI=1S/C36H47ClN2O9/c1-21(2)17-28(40)36(44)47-29(23(4)32-33(48-32)25-11-8-7-9-12-25)13-10-14-31(41)39-27(34(42)38-20-22(3)35(43)46-6)19-24-15-16-30(45-5)26(37)18-24/h7-12,14-16,18,21-23,27-29,32-33,40H,13,17,19-20H2,1-6H3,(H,38,42)(H,39,41)/b14-10+/t22-,23+,27+,28+,29+,32-,33+/m1/s1 |
| InChIKey | XGAUXAIUGBBANH-KQPHDVISSA-N |
| Literature Reference Author | G.TRIMURTULU,I.OHTANI,G.M.L.PATTERSON,R.E.MOORE,T.H.CORBETT, F.A.VALERIOTE,L.DEMC |
| Literature Reference Citation | J.AM.CHEM.SOC.,116,4729(1994) |
| Literature Reference DOI | 10.1021/ja00090a020 |
| Molecular Weight | 687.230 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI652 |