Chemical Compound

CHEMBL88601

CHEMBL88601 chemical structure
Primary Record

CHEMBL88601

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
460636
SMILES
CCCCCCCCCOC(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O
Canonical SMILES
C=C(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](OC(=O)OCCCCCCCCC)[C@H]2O)[C@@H](OC(C)=O)[C@H](C)Cc1ccccc1

Names & Synonyms

  • CHEMBL88601
  • AC1LA2Q8
  • SQUALESTATIN ANALOG 34
  • AIDS027731
  • BDBM50281106
  • CID460636
  • (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,7-dihydroxy-6-nonyloxycarbonyloxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetoxy-5-methyl-3-methylene-6-phenyl-hexyl]-4,7-dihydroxy-6-nonoxycarbonyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
  • (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl]-4,7-dihydroxy-6-nonoxycarbonyloxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid