Chemical Compound

(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl benzoate

(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl benzoate 结构式
Primary record

(1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
11113907
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CC=CC=C6)C)O4)C
Canonical SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC(=O)c4ccccc4)CC[C@]5(C)[C@H]3CC[C@]12C

名称与同义词

  • Withaferin B
  • SCHEMBL30190056
  • CID11113907
  • CID 10918202
  • J463.296F
  • 5beta,6beta-Epoxycholestan-3beta-ol benzoate
  • 3beta-(Benzoyloxy)-5beta,6beta-epoxycholestane
  • 5,6beta-Epoxy-5beta-cholestan-3beta-ol benzoate
  • 3beta-(Benzoyloxy)-5,6beta-epoxy-5beta-cholestane
  • Benzoic acid 5beta,6beta-epoxycholestan-3beta-yl ester
  • Benzoic acid 5,6beta-epoxy-5beta-cholestan-3beta-yl ester
  • (1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-yl benzoate