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HIT214314512
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HIT214314512
  • HIT ID:HIT214314512
  • Cas No:98665-20-4
  • 常用名:Ganoderic acid I
  • IUPAC:(2R,6S)-6-[(1R,3aR,4S,5aR,7S,9aS,11aR)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
    IUPAC:(2R,6S)-6-[(1R,3aR,4S,5aR,7S,9aS,11aR)-4,7-dihydroxy-3a,6,6,9a,11a-pentamethyl-3,10-dioxo-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid
  • InChI key:ZWMMEKXOLCCKLA-OCYWOBKISA-N
  • 分子式:C30H44O8
  • 分子量:532.674
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@@](C)(O)CC(=O)C[C@@H](C)C(O)=O |c:7|
    SMILES:[H][C@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@@](C)(O)CC(=O)C[C@@H](C)C(O)=O |c:7|
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