Chemical Compound

CHEMBL3609891

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CHEMBL3609891 chemical structure
Primary Record

CHEMBL3609891

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
12012148
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=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C)OC(=O)C
Canonical SMILES
CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)[C@H]([C@@H](OC(=O)C(C)C)[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)C(C)C)[C@H]1OC(C)=O)[C@H]3OC(C)=O

Names & Synonyms

  • CHEMBL3609891
  • J2.882.918C
  • (10R)-2,2,9beta-Trimethyl-5abeta-(isobutyryloxymethyl)-3,4,5,5a,6,7,8,9-octahydro-2H-3beta,9abeta-methano-1-benzooxepin-4beta,5alpha,6beta,7beta,9,10-hexaol 4-(2-methylpropionate)6,7,10-triacetate 5-benzoate
  • (1S,2S,4S,5R,6S,7R,8R,9R,12R)-4,5,12-tris(acetyloxy)-2-hydroxy-2,10,10-trimethyl-8-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl benzoate