Chemical Compound

112693-21-7

CAS Registry Number 112693-21-7
112693-21-7 chemical structure
Primary Record

112693-21-7

In stock
1,506 g
Purity
98.3 %
CAS
112693-21-7

Compound Identifiers & Properties

CAS
112693-21-7
PubChem CID
188674
SMILES
CC=C1[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)OC(=O)CC4C(=CO[C@H](C4=CC)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)OC)O)O)C(=O)OC)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Canonical SMILES
CC=C1C(CC(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](OC(=O)CC3C(C(=O)OC)=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=CC)[C@@H](O)[C@@H]2O)C(C(=O)OC)=CO[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Names & Synonyms

  • 112693-21-7
  • methyl (5E,6S)-5-ethylidene-4-(2-{[(2R,3S,4S,5R,6R)-5-({2-[(2S,3E)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)-3,4-dihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy}-2-oxoethyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylate