Chemical Compound

Benzoic acid [(1S,3E,11alpha)-2beta-(benzoyloxy)-4,8-dimethyl-10beta-(3-pyridinylcarbonyloxy)-12-isopropylidene-7beta,8beta-epoxybicyclo[9.3.0]tetradecane-3-ene-1beta-yl]methyl ester

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Benzoic acid [(1S,3E,11alpha)-2beta-(benzoyloxy)-4,8-dimethyl-10beta-(3-pyridinylcarbonyloxy)-12-isopropylidene-7beta,8beta-epoxybicyclo[9.3.0]tetradecane-3-ene-1beta-yl]methyl ester 结构式
Primary record

Benzoic acid [(1S,3E,11alpha)-2beta-(benzoyloxy)-4,8-dimethyl-10beta-(3-pyridinylcarbonyloxy)-12-isopropylidene-7beta,8beta-epoxybicyclo[9.3.0]tetradecane-3-ene-1beta-yl]methyl ester

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177572850
SMILES
C/C/1=C\[C@@H]([C@]2(CCC(=C(C)C)[C@@H]2C(C[C@]3([C@H](O3)CC1)C)OC(=O)C4=CN=CC=C4)COC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Canonical SMILES
CC(C)=C1CC[C@]2(COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)/C=C(\C)CC[C@H]3O[C@@]3(C)CC(OC(=O)c3cccnc3)[C@@H]12

名称与同义词

  • Nigellamine A1
  • J2.021.813D
  • (1S,2R,4S,6R,9E,11S,12S)-11-(benzoyloxy)-12-[(benzoyloxy)methyl]-4,9-dimethyl-15-(propan-2-ylidene)-5-oxatricyclo[10.3.0.04,6]pentadec-9-en-2-yl pyridine-3-carboxylate
  • Benzoic acid [(1S,3E,11alpha)-2beta-(benzoyloxy)-4,8-dimethyl-10beta-(3-pyridinylcarbonyloxy)-12-isopropylidene-7beta,8beta-epoxybicyclo[9.3.0]tetradecane-3-ene-1beta-yl]methyl ester