Chemical Compound

(10R)-2,2,5abeta,9beta-Tetramethyl-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzooxepin-4alpha,5alpha,6beta,7beta,9alpha,10-hexaol 4-[(E)-3-phenylpropenoate]5-benzoate 6-acetate

(10R)-2,2,5abeta,9beta-Tetramethyl-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzooxepin-4alpha,5alpha,6beta,7beta,9alpha,10-hexaol 4-[(E)-3-phenylpropenoate]5-benzoate 6-acetate 结构式
Primary record

(10R)-2,2,5abeta,9beta-Tetramethyl-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzooxepin-4alpha,5alpha,6beta,7beta,9alpha,10-hexaol 4-[(E)-3-phenylpropenoate]5-benzoate 6-acetate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
44598154
SMILES
CC(=O)O[C@H]1[C@H](C[C@]([C@]23[C@@]1([C@H]([C@H]([C@H]([C@H]2O)C(O3)(C)C)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C)(C)O)O
Canonical SMILES
CC(=O)O[C@H]1[C@@H](O)C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)/C=C/c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3O

名称与同义词

  • CHEMBL1796141
  • J2.810.545B
  • [Acetoxy-trihydroxy-tetramethyl-[(E)-3-phenylprop-2-enoyl]oxy-[?]yl] benzoate
  • (10R)-2,2,5abeta,9beta-Tetramethyl-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzooxepin-4alpha,5alpha,6beta,7beta,9alpha,10-hexaol 4-[(E)-3-phenylpropenoate]5-benzoate 6-acetate
  • (1S,2S,4S,5R,6S,7R,8S,9S,12R)-5-(acetyloxy)-2,4,12-trihydroxy-2,6,10,10-tetramethyl-8-{[(2E)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl benzoate