Chemical Compound

(3R,9aS,10R)-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3,9a-methano-1-benzoxepin-4beta,5beta,6beta,7beta,10-pentol 4,6,10-triacetate 5-benzoate 7-(2-methylbutyrate)

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(3R,9aS,10R)-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3,9a-methano-1-benzoxepin-4beta,5beta,6beta,7beta,10-pentol 4,6,10-triacetate 5-benzoate 7-(2-methylbutyrate) 结构式
Primary record

(3R,9aS,10R)-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3,9a-methano-1-benzoxepin-4beta,5beta,6beta,7beta,10-pentol 4,6,10-triacetate 5-benzoate 7-(2-methylbutyrate)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101602655
SMILES
CCC(C)C(=O)O[C@H]1C[C@H]([C@@]23[C@@H]([C@@H]([C@H]([C@H]([C@@]2([C@H]1OC(=O)C)C)OC(=O)C4=CC=CC=C4)OC(=O)C)C(O3)(C)C)OC(=O)C)C
Canonical SMILES
CCC(C)C(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H]([C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(C)=O

名称与同义词

  • Triptogelin C-3
  • J398.691H
  • (1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,8,12-tris(acetyloxy)-2,6,10,10-tetramethyl-4-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl benzoate
  • (3R,9aS,10R)-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3,9a-methano-1-benzoxepin-4beta,5beta,6beta,7beta,10-pentol 4,6,10-triacetate 5-benzoate 7-(2-methylbutyrate)