Primary Record
Neosurugatoxin
- In stock
- 4,170 g
- Purity
- 99.2 %
- CAS
- 80680-43-9
Compound Identifiers & Properties
- CAS
- 80680-43-9
- PubChem CID
- 46173822
- SMILES
- C[C@]1(C2=NC3=C(NC[C@H]2[C@@H]([C@@]14C5=C(C=C(C=C5)Br)NC4=O)C(=O)O[C@@H]6[C@H]([C@H]([C@H]([C@@H]([C@H]6O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O)O)O)NC(=O)NC3=O)O
- Canonical SMILES
- C[C@@]1(O)C2=Nc3c([nH]c(=O)[nH]c3=O)NC[C@H]2[C@H](C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]12C(=O)Nc1cc(Br)ccc12
Names & Synonyms
- Neosurugatoxin
- RefChem:927657
- C30H34BrN5O15
- SCHEMBL29869423
- CHEBI:80710
- C30-H34-Br-N5-O15
- C16761
- 80680-43-9
- Q27149744
- ((1R,2S,3S,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl) (3R,4'S,6'S,7'R)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro(1H-indole-3,5'-2,9,11,13-tetrazatricyclo(8.4.0.03,7)tetradeca-1(10),2-diene)-6'-carboxylate
- ((1S,2R,3R,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-((2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl) (3R,4'S,6'S,7'R)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro(1H-indole-3,5'-2,9,11,13-tetrazatricyclo(8.4.0.03,7)tetradeca-1(10),2-diene)-6'-carboxylate
- ((1S,2R,3R,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxycyclohexyl) (3R,4'S,6'S,7'R)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro(1H-indole-3,5'-2,9,11,13-tetrazatricyclo(8.4.0.03,7)tetradeca-1(10),2-diene)-6'-carboxylate
- [(2S,3S,4R,5S)-2,3,4,5-Tetrahydroxy-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxycyclohexyl] (3R,4'S,6'S,7'R)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxospiro[1H-indole-3,5'-2,9,11,13-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),2-diene]-6'-carboxylate