| SpectraBase Compound ID | JRCKpCm4GoS |
|---|---|
| InChI | InChI=1S/C36H50ClN3O10/c1-19(2)32(42)39(7)22(5)33(43)49-28-17-29(41)40(8)24-15-23(16-25(46-9)30(24)37)14-20(3)12-11-13-27(47-10)36(45)18-26(48-34(44)38-36)21(4)31-35(28,6)50-31/h11-13,15-16,19,21-22,26-28,31,45H,14,17-18H2,1-10H3,(H,38,44)/b13-11+,20-12+/t21-,22+,26?,27+,28-,31-,35-,36-/m0/s1 |
| InChIKey | RJIVUFYDGYNSNE-VVIAJMGUSA-N |
| Mol Weight | 720.3 g/mol |
| Molecular Formula | C36H50ClN3O10 |
| Exact Mass | 719.318473 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6w42YmQZLy3 |
|---|---|
| Name | MAYTANBUTINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50ClN3O10 |
| InChI | InChI=1S/C36H50ClN3O10/c1-19(2)32(42)39(7)22(5)33(43)49-28-17-29(41)40(8)24-15-23(16-25(46-9)30(24)37)14-20(3)12-11-13-27(47-10)36(45)18-26(48-34(44)38-36)21(4)31-35(28,6)50-31/h11-13,15-16,19,21-22,26-28,31,45H,14,17-18H2,1-10H3,(H,38,44)/b13-11+,20-12+/t21-,22+,26?,27+,28-,31-,35-,36-/m0/s1 |
| InChIKey | RJIVUFYDGYNSNE-VVIAJMGUSA-N |
| Literature Reference Author | W.A.WALLACE,A.T.SNEDEN |
| Literature Reference Citation | ORG.MAGN.RES.,19,31(1982) |
| Literature Reference DOI | 10.1002/mrc.1270190109 |
| Molecular Weight | 720.260 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS12279 |