Chemical Compound

(1R,2R,4S,7R,8S,11R,12R,18R)-7-[(5S)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl acetate

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(1R,2R,4S,7R,8S,11R,12R,18R)-7-[(5S)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl acetate 结构式
Primary record

(1R,2R,4S,7R,8S,11R,12R,18R)-7-[(5S)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl acetate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101127372
SMILES
CC(=O)OC1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@]4([C@@H](OC(=O)[C@@H]5[C@@]4([C@@]3(C(=O)C2)C)O5)C6=C[C@H](OC6=O)O)C)C)(C)C
Canonical SMILES
CC(=O)OC1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C5=C[C@@H](O)OC5=O)OC(=O)[C@H]5O[C@]543)[C@@]12C

名称与同义词

  • Citrusin
  • SCHEMBL29572957
  • J1.595.633J
  • (23S)-1alpha-Acetoxy-1,2,21,23-tetrahydro-23-hydroxy-21-oxoobacunoic acid epsilon-lactone
  • (1R,2R,4S,7R,8S,11R,12R,18R)-7-[(5S)-5-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-1,8,12,17,17-pentamethyl-5,15,20-trioxo-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosan-13-yl acetate