Chemical Compound

(3R,5S,5aS,6S,9S,9aS,10R)-6-Acetoxy-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-10-(nicotinoyloxy)-2H-3,9a-methano-1-benzooxepin-9-ol

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(3R,5S,5aS,6S,9S,9aS,10R)-6-Acetoxy-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-10-(nicotinoyloxy)-2H-3,9a-methano-1-benzooxepin-9-ol 结构式
Primary record

(3R,5S,5aS,6S,9S,9aS,10R)-6-Acetoxy-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-10-(nicotinoyloxy)-2H-3,9a-methano-1-benzooxepin-9-ol

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101705434
SMILES
CC(=O)O[C@H]1CC[C@]([C@]23[C@@]1([C@H](C[C@H]([C@H]2OC(=O)C4=CN=CC=C4)C(O3)(C)C)OC(=O)C5=CC=CC=C5)C)(C)O
Canonical SMILES
CC(=O)O[C@H]1CC[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3OC(=O)c1cccnc1

名称与同义词

  • J845.791C
  • 1beta-Acetoxy-9alpha-benzoyloxy-4-hydroxy-6alpha-nicotinoyloxy-beta-dihydroagarofuran
  • (1S,2S,5S,6S,7S,9R,12R)-5-(acetyloxy)-7-(benzoyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl pyridine-3-carboxylate
  • (3R,10R)-2,2,5abeta,9-Tetramethyloctahydro-2H-3beta,9abeta-methano-1-benzoxepin-5alpha,6beta,9alpha,10-tetrol 5-benzoate 6-acetate 10-nicotinate
  • (3R,5S,5aS,6S,9S,9aS,10R)-6-Acetoxy-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-10-(nicotinoyloxy)-2H-3,9a-methano-1-benzooxepin-9-ol