| SpectraBase Compound ID | 7fby5qmU4Qw |
|---|---|
| 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- |
| InChIKey | RJIVUFYDGYNSNE-SROWWDBNSA-N |
| Mol Weight | 720.3 g/mol |
| Molecular Formula | C36H50ClN3O10 |
| Exact Mass | 719.318473 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GuikceAu7dM |
|---|---|
| Name | Maytanbutine |
| CAS Registry Number | 38997-10-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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- |
| InChIKey | RJIVUFYDGYNSNE-SROWWDBNSA-N |
| Molecular Weight | 720.260 g/mol |
| SMILES | OC12CC(C(C3C(C)(C(CC(N(c4cc(C\C(=C/C=C\C2OC)C)cc(OC)c4Cl)C)=O)OC(C(N(C(C(C)C)=O)C)C)=O)O3)C)OC(N1)=O |
| SPLASH | splash10-0a4i-0930100000-25cbe2bac28759d21134 |
| Source of Spectrum | W5-1989-38092-27444 |
| Synonyms | NSC 165014 |
| Wiley ID | 1415603 |