Vindoline
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Also Known As: Vindoline|Vindolin|(-)-Vindoline|vindoline(8ci)|VINDOLINE [MI]|MEGxp0_001802|ACon1_000494|ERK5-7I21|VINDOLINE (REFERENCE GRADE)|HY-N0687|Vindoline, >=98.0% (HPLC)|EINECS 218-558-0|NP0010|s3970|SMP2_000150|NCGC00163666-02|NCI60_042033
| Molecular Formula | C25H32N2O6 |
|---|---|
| Molecular Weight | 456.22604 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.22604 |
| Monoisotopic Mass | 456.22604 |
| Heavy Atoms | 33 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 57794-53-3 |
|---|---|
| SMILES | CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C |
| InChIKey | CXBGOBGJHGGWIE-ACSXSLCXSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vindoline (CAS 57794-53-3), with molecular formula C25H32N2O6 and molecular weight 456.22604 g/mol. IUPAC: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate.
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