Primary Record
Neosurugatoxin
- In stock
- 4,170 g
- Purity
- 99.2 %
- CAS
- 80680-43-9
Compound Identifiers & Properties
- CAS
- 80680-43-9
- PubChem CID
- 102060335
- 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
- C30H34BrN5O15
- C30-H34-Br-N5-O15
- J342.172D
- (1R,2S,3S,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl (3S,4'S,6'R,7'S)-6-bromo-4'-hydroxy-4'-methyl-2,12',14'-trioxo-1,2-dihydro-2',9',11',13'-tetraazaspiro[indole-3,5'-tricyclo[8.4.0.03,7]tetradecane]-1'(10'),2'-diene-6'-carboxylate
- 5-O-beta-D-Xylopyranosyl-D-myo-inositol 4-[(6S,7S)-6 -bromo-1,1 ,2 ,3,4,6,8,8aalpha,9,10-decahydro-6-hydroxy-6-methyl-2,2 ,4-trioxospiro[cyclopenta[e]pyrimido[4,5-b][1,4]diazepine-7(2H),3 -[3H]indole]-8alpha-carboxylate]
- 80680-43-9