Chemical Compound

Atractyloside I

CAS Registry Number 126054-85-1
Atractyloside I chemical structure
Primary Record

Atractyloside I

In stock
3,910 g
Purity
99.3 %
CAS
126054-85-1

Compound Identifiers & Properties

CAS
126054-85-1
PubChem CID
10929902
SMILES
CC1=C(C(=O)C[C@]2([C@H]1C[C@@H](CC2)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical SMILES
CC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12

Names & Synonyms

  • Atractyloside I
  • RefChem:115479
  • CHEBI:190270
  • DTXSID601365708
  • CID10929902
  • CID 10929902
  • C17866
  • (4aR,6R,8aS)-4,8a-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,4a,5,6,7,8-hexahydronaphthalen-2-one
  • (4aR,6R,8aS)-4,8a-dimethyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-1,4a,5,6,7,8-hexahydronaphthalen-2-one
  • 126054-85-1
  • 2(1H)-Naphthalenone, 3-(I(2)-D-glucopyranosyloxy)-6-[1-(I(2)-D-glucopyranosyloxy)-1-methylethyl]-4a,5,6,7,8,8a-hexahydro-4,8a-dimethyl-, (4aR,6R,8aS)-