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HIT217737269
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HIT217737269
  • HIT ID:HIT217737269
  • Cas No:64936-81-8
  • 常用名:disodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
    常用名:disodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
  • IUPAC:disodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
    IUPAC:disodium (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(sulfonatooxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoate
  • InChI key:KFMFANFNCYFOLB-WLYWKNFRSA-L
  • 分子式:C24H38Na2O6S
  • 分子量:500.6
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC([O-])=O
    SMILES:[Na+].[Na+].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS([O-])(=O)=O)[C@H](C)CCC([O-])=O
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