Chemical Compound

(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,12-bis(acetyloxy)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-6-{[(2-methylpropanoyl)oxy]methyl}-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl pyridine-3-carboxylate

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(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,12-bis(acetyloxy)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-6-{[(2-methylpropanoyl)oxy]methyl}-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl pyridine-3-carboxylate 结构式
Primary record

(1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,12-bis(acetyloxy)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-6-{[(2-methylpropanoyl)oxy]methyl}-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl pyridine-3-carboxylate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
53388136
SMILES
CC(C)C(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H]([C@H]([C@@H]2OC(=O)C4=COC=C4)OC(=O)C5=CN=CC=C5)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C6=CN=CC=C6
Canonical SMILES
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@@H](OC(=O)c4cccnc4)[C@H](OC(=O)c4ccoc4)[C@]2(COC(=O)C(C)C)[C@H]1OC(=O)c1cccnc1)[C@H]3OC(C)=O

名称与同义词

  • Wilforsinine C
  • SCHEMBL29725330
  • J2.966.365C
  • (1R)-4-Methyl-8abeta-[(isobutyryloxy)methyl]-4aalpha,6alpha-(2-methyl-1-oxapropane-1,2-diyl)decalin-1beta,2beta,4alpha,5alpha,7beta,8alpha-hexaol 1,7-bis(nicotinate)2,5-diacetate 8-(furan-3-carboxylate)
  • (1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,12-bis(acetyloxy)-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-6-{[(2-methylpropanoyl)oxy]methyl}-8-(pyridine-3-carbonyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl pyridine-3-carboxylate