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HIT218931185
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HIT218931185
  • HIT ID:HIT218931185
  • Cas No:
  • 常用名:sodium 2-[(1S,3aS,3bS,9aR,10S,11aR)-11a-formyl-10-hydroxy-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxysulfonic acid
    常用名:sodium 2-[(1S,3aS,3bS,9aR,10S,11aR)-11a-formyl-10-hydroxy-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxysulfonic acid
  • IUPAC:sodium {2-[(1S,3aS,3bS,9aR,10S,11aR)-11a-formyl-10-hydroxy-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}sulfonic acid
    IUPAC:sodium {2-[(1S,3aS,3bS,9aR,10S,11aR)-11a-formyl-10-hydroxy-9a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}sulfonic acid
  • InChI key:ALXNHVWPFHZLEW-WUSUIJFMSA-N
  • 分子式:C21H28NaO8S
  • 分子量:463.5
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[Na+].C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)COS(O)(=O)=O)[C@]3(C[C@H](O)C21)C=O
    SMILES:[Na+].C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)COS(O)(=O)=O)[C@]3(C[C@H](O)C21)C=O
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