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HIT213885668
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HIT213885668
  • HIT ID:HIT213885668
  • Cas No:14021-14-8
  • 常用名:Randialic acid B
  • IUPAC:(2R,4aS,6aS,6bR,8aR,10S,12aR,12bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylic acid
    IUPAC:(2R,4aS,6aS,6bR,8aR,10S,12aR,12bR)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylic acid
  • InChI key:GPQBTLJRTQXVOM-UORVSENQSA-N
  • 分子式:C30H46O3
  • 分子量:454.695
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1C)C(O)=O |c:9,31|
    SMILES:C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1C)C(O)=O |c:9,31|
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