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HIT218701042
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HIT218701042
  • HIT ID:HIT218701042
  • Cas No:2044276-17-5
  • Common Name:[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
    Common Name:[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-dodecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
  • IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
    IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4S,5aR,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro(6,6,8,8-2H4)-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]acetic acid
  • InChIKey:GHCZAUBVMUEKKP-ODDJOPSVSA-N
  • Molecular Formula:C26H43NO5
  • Molecular Weight:453.656
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O
    SMILES:[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C([2H])([2H])[C@H](O)C([2H])([2H])C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)NCC(O)=O
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