Chemical Compound

Scammonin II

CAS Registry Number 131747-24-5
Scammonin II chemical structure
Primary Record

Scammonin II

In stock
8,369 g
Purity
99.7 %
CAS
131747-24-5

Compound Identifiers & Properties

CAS
131747-24-5
PubChem CID
14704606
SMILES
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OC(=O)[C@@H](C)CC)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O1)C)O)O)CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)O)O)O
Canonical SMILES
CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O1)O[C@H](C)[C@@H](O)[C@@H]4O)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H]2OC(=O)[C@@H](C)CC

Names & Synonyms

  • Scammonin II
  • RefChem:931400
  • CHEMBL506030
  • orb1695268
  • AKOS040753965
  • 131747-24-5
  • [(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-4,5,11,12-Tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-30-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] (2S)-2-methylbutanoate
  • 11-(O-Glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester
  • Hexadecanoic acid, 11-((O-6-deoxy-beta-D-glucopyranosyl-(1-4)-O-(S)-6-deoxy-2-O-(2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-glucopyranosyl)oxy)-, intramol. 1,3'''-ester, (S)-