Chemical Compound

(3S,3aR,4S,5S,6S,6aS,7R,9S,10R,10bR)-3,4-bis(acetyloxy)-8-(benzoyloxy)-3a,6,7,9,10a-pentahydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)-tetradecahydrocyclohexa[e]azulen-5-yl benzoate

(3S,3aR,4S,5S,6S,6aS,7R,9S,10R,10bR)-3,4-bis(acetyloxy)-8-(benzoyloxy)-3a,6,7,9,10a-pentahydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)-tetradecahydrocyclohexa[e]azulen-5-yl benzoate 结构式
Primary record

(3S,3aR,4S,5S,6S,6aS,7R,9S,10R,10bR)-3,4-bis(acetyloxy)-8-(benzoyloxy)-3a,6,7,9,10a-pentahydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)-tetradecahydrocyclohexa[e]azulen-5-yl benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101914879
SMILES
C[C@@H]1[C@@H](C([C@@H]([C@H]2C1([C@H]3CC([C@@H]([C@]3([C@@H]([C@@]([C@H]2O)(C)OC(=O)C4=CC=CC=C4)OC(=O)C)O)OC(=O)C)C)O)O)(C(=C)C)OC(=O)C5=CC=CC=C5)O
Canonical SMILES
C=C(C)C1(OC(=O)c2ccccc2)[C@H](O)[C@@H]2[C@H](O)[C@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@H](CC(C)[C@@H]3OC(C)=O)C2(O)[C@H](C)[C@@H]1O

名称与同义词

  • Trigoxyphin W
  • J3.393.341J
  • (3S,3aR,4S,5S,6S,6aS,7R,9S,10R,10bR)-3,4-bis(acetyloxy)-8-(benzoyloxy)-3a,6,7,9,10a-pentahydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)-tetradecahydrocyclohexa[e]azulen-5-yl benzoate
  • Dibenzoic acid (1R,7S)-2,4alpha,6alpha,8alpha,11beta-pentahydroxy-10beta,12beta-diacetoxy-3alpha,9,13-trimethyl-5-isopropenyltricyclo[9.3.0.02,7]tetradecane-5,9alpha-diyl ester