Chemical Compound

CHEMBL2003754

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CHEMBL2003754 chemical structure
Primary Record

CHEMBL2003754

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
5468819
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H]6[C@]5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)[C@@H]2[C@H]1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O
Canonical SMILES
C[C@H]1[C@H](C)CC[C@]2(C(=O)OC3OC(CO)C(O)C(O)C3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H]6OC(=O)c7cc(O)c(O)c(O)c7-c7c(cc(O)c(O)c7O)C(=O)OC[C@@]6(CO)[C@@H]5CC[C@]43C)[C@H]12

Names & Synonyms

  • CHEMBL2003754
  • NSC676830
  • NSC676831
  • CID5468819
  • NSC-676831
  • NCI60_027278
  • 30-Norolean-12-en-28-oic acid,3,23,24-tetrahydroxy- 19-methyl-, 28-O-.beta.-D-glucopyranosyl ester, 3-O,24-O-diester with 4,4',5,5',6,6'-hexahydroxy-1,1'- biphenyl-2,2'-dicarboxylic acid, (2-.alpha.,3-.beta., 4-.alpha., 19-.beta.,20-.alpha.)-
  • Urs-12-en-28-oic acid,3,23,24-tetrahydroxy-, 28-O-.beta.-D-glucopyranosyl ester, 3-O,24-O-diester with 4,4',5,5',6,6'-hexahydroxy-1,1'- biphenyl-2,2'-dicarboxylic acid, (2-.alpha.,3-.beta.,4-.alpha.)-