Chemical Compound

CHEMBL4101338

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CHEMBL4101338 chemical structure
Primary Record

CHEMBL4101338

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
132991359
SMILES
C1[C@@H]([C@H](OC2=C1C(=CC3=C2[C@@H]4[C@H]([C@](O3)(OC5=C4C(=CC6=C5[C@@H]7[C@H]([C@](O6)(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O
Canonical SMILES
Oc1cc(O)c2c(c1)O[C@@]1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3[C@@H]2[C@H]1O)O[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)c3c(c2[C@@H]4[C@H]1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3

Names & Synonyms

  • CHEMBL4101338
  • J3.616.569C
  • (1R,7S,15R,19R,26S,27R,31R,32R)-7,19,27-tris(3,4-dihydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21,23,29-nonaene-3,11,13,23,26,31,32-heptol
  • 2alpha,2 alpha,2 alpha-Tris(3,4-dihydroxyphenyl)-3,3 ,3 ,4,4 ,4 -hexahydro-2beta,7 :2 beta,7 -diepoxy-4beta,8 :4 beta,8 -ter[2H-1-benzopyran]-3alpha,3 alpha,3 beta,5,5 ,5 ,7-heptaol