Chemical Compound

(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

CAS Registry Number 80680-43-9
返回搜索 申请报价
(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 结构式
Primary record

(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

库存
4,170 克
纯度
99.2 %
CAS
80680-43-9

化合物标识与属性

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

名称与同义词

  • 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