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  3. HIT221058711
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HIT221058711
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HIT221058711
  • HIT ID:HIT221058711
  • Cas No:
  • 常用名:(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-bis(acetyloxy)-1,8,9-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-[(2,3,4,5,6-2H5)phenylformamido]propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
    常用名:(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-bis(acetyloxy)-1,8,9-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-[(2,3,4,5,6-2H5)phenylformamido]propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
  • IUPAC:(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-bis(acetyloxy)-1,8,9-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-{[(2,3,4,5,6-2H5)phenyl]formamido}propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
    IUPAC:(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-bis(acetyloxy)-1,8,9-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-{[(2,3,4,5,6-2H5)phenyl]formamido}propanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
  • InChI key:InChIKey=NDCWHEDPSFRTDA-NZSUPHSRSA-N
  • 分子式:C47H51NO15
  • 分子量:874.948
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12OC[C@@]1(OC(C)=O)[C@@]1([H])[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)[C@@H]2O)C3(C)C
    SMILES:[H][C@]12OC[C@@]1(OC(C)=O)[C@@]1([H])[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)[C@@H]2O)C3(C)C
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