Details of Vobtusine
| IUPAC | methyl (1R,1'R,7'S,11'R,12R,13'R,16S,17S,22R,24'R,25'S)-24'-hydroxy-19'-methoxyspiro[15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-17,15'-8-oxa-4,17-diazaheptacyclo[11.10.1.11,4.07,11.017,24.018,23.011,25]pentacosa-18(23),19,21-triene]-10-carboxylate |
| Canonical Smiles | COC1=CC=CC2=C1N3C[C@]4(C[C@H]5[C@]3([C@]26CCN7[C@H]6[C@@]8(C5)CCO[C@H]8CC7)O)CN9CC[C@@]12[C@@H]9[C@@]3([C@H]4OCC3)CC(=C1NC1=CC=CC=C21)C(=O)OC |
| Inchi | IIMPGJMHQMBXKL-OPDPKHDKSA-N |
| PubChem ID | 73534 |
| Smiles | COC(=O)C1C[C@]23CCO[C@H]2[C@@]2(C[C@@H]4C[C@]56CCO[C@H]5CCN5CC[C@@]7(c8cccc(OC)c8N(C2)[C@@]47O)[C@@H]56)CN2CC[C@]4(C1=Nc1ccccc14)[C@@H]23 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1C%5BC%40%5D23CCO%5BC%40H%5D2%5BC%40%40%5D2%28C%5BC%40%40H%5D4C%5BC%40%5D56CCO%5BC%40H%5D5CCN5CC%5BC%40%40%5D7%28c8cccc%28OC%29c8N%28C2%29%5BC%40%40%5D47O%29%5BC%40%40H%5D56%29CN2CC%5BC%40%5D4%28C1%3DNc1ccccc14%29%5BC%40%40H%5D23/file?format=sdf&get3d=True -- COC%28%3DO%29C1C%5BC%40%5D23CCO%5BC%40H%5D2%5BC%40%40%5D2%28C%5BC%40%40H%5D4C%5BC%40%5D56CCO%5BC%40H%5D5CCN5CC%5BC%40%40%5D7%28c8cccc%28OC%29c8N%28C2%29%5BC%40%40%5D47O%29%5BC%40%40H%5D56%29CN2CC%5BC%40%5D4%28C1%3DNc1ccccc14%29%5BC%40%40H%5D23 could not be loaded.
| Class | Aspidosperma type |
| Super Class | Tryptophan alkaloids |
| Pathways | Alkaloids |