Chemical Compound

(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3beta,9a-methano-1-benzoxepin-5alpha,6beta,7beta-triol 5,7-bis(3-phenylpropenoate)6-acetate

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(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3beta,9a-methano-1-benzoxepin-5alpha,6beta,7beta-triol 5,7-bis(3-phenylpropenoate)6-acetate 结构式
Primary record

(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3beta,9a-methano-1-benzoxepin-5alpha,6beta,7beta-triol 5,7-bis(3-phenylpropenoate)6-acetate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101713485
SMILES
C[C@@H]1C[C@@H]([C@@H]([C@@]2([C@]13C[C@@H](C[C@@H]2OC(=O)/C=C/C4=CC=CC=C4)C(O3)(C)C)C)OC(=O)C)OC(=O)/C=C/C5=CC=CC=C5
Canonical SMILES
CC(=O)O[C@H]1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@@H](C)[C@@]23C[C@@H](C[C@H](OC(=O)/C=C/c4ccccc4)[C@]12C)C(C)(C)O3

名称与同义词

  • Celastrin B
  • CHEMBL3609590
  • J869.487G
  • (1S,2R,4S,5R,6R,7S,9R)-5-(acetyloxy)-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl 3-phenylprop-2-enoate
  • (3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9beta-tetramethyl-2H-3beta,9a-methano-1-benzoxepin-5alpha,6beta,7beta-triol 5,7-bis(3-phenylpropenoate)6-acetate