Chemical Compound

Isobaccharin

CAS Registry Number 63814-58-4
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Isobaccharin chemical structure
Primary Record

Isobaccharin

In stock
3,719 g
Purity
98.2 %
CAS
63814-58-4

Compound Identifiers & Properties

CAS
63814-58-4
PubChem CID
109374088
SMILES
C[C@@H]([C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@@H]3[C@]4([C@]2([C@]5(CC[C@@]6([C@H]([C@H]5O3)O6)C)COC(=O)[C@@H]7[C@](O7)([C@H](CO1)O)C)C)CO4)O
Canonical SMILES
C[C@H](O)[C@H]1/C=C/C=C\C(=O)O[C@@H]2C[C@H]3O[C@@H]4[C@@H]5O[C@]5(C)CC[C@]4(COC(=O)[C@H]4O[C@]4(C)[C@@H](O)CO1)[C@]2(C)[C@]31CO1

Names & Synonyms

  • Isobaccharin
  • 9JU14BJ5QG
  • UNII-9JU14BJ5QG
  • RefChem:149036
  • NSC-269760
  • SCHEMBL31238460
  • NSC269760
  • Q27272643
  • 63814-58-4
  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-((1S)-1-hydroxyethyl)-, (2'S,3'R,4'S,7'R,9R,10S)-
  • Verrucarin A, 7'-deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)-, (2'S,3'R,4'S,7'R(S),9R,10S)-
  • (2S)-hydroxy-[(1S)-1-hydroxyethyl]-trimethyl-spiro[[?]-2,2'-oxirane]dione