Chemical Compound

(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5alpha,6beta,7beta,9alpha,10alpha-pentol 6-acetate 7-(2-methylbutyrate)5,10-bis(furan-2-carboxylate)

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(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5alpha,6beta,7beta,9alpha,10alpha-pentol 6-acetate 7-(2-methylbutyrate)5,10-bis(furan-2-carboxylate) 结构式
Primary record

(3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5alpha,6beta,7beta,9alpha,10alpha-pentol 6-acetate 7-(2-methylbutyrate)5,10-bis(furan-2-carboxylate)

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102240568
SMILES
CCC(C)C(=O)O[C@H]1C[C@]([C@@]23[C@H]([C@@H](C[C@@H]([C@@]2([C@H]1OC(=O)C)C)OC(=O)C4=CC=CO4)C(O3)(C)C)OC(=O)C5=CC=CO5)(C)O
Canonical SMILES
CCC(C)C(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@@H]3OC(=O)c1ccco1

名称与同义词

  • J1.359.081H
  • (1S,2S,4S,5R,6R,7S,9R,12S)-5-(acetyloxy)-12-(furan-2-carbonyloxy)-2-hydroxy-2,6,10,10-tetramethyl-4-[(2-methylbutanoyl)oxy]-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl furan-2-carboxylate
  • (3R,9aS)-3,4,5,5a,6,7,8,9-Octahydro-2,2,5abeta,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5alpha,6beta,7beta,9alpha,10alpha-pentol 6-acetate 7-(2-methylbutyrate)5,10-bis(furan-2-carboxylate)