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HIT214315661
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HIT214315661
  • HIT ID:HIT214315661
  • Cas No:157664-03-4
  • 常用名:7-Xylosyl-10-deacetylbaccatin III
    常用名:7-Xylosyl-10-deacetylbaccatin III
  • IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
    IUPAC:(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate
  • InChI key:PAYIYFPUFSJTDA-HEJNHQNCSA-N
  • 分子式:C34H44O14
  • 分子量:676.712
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12C[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C |c:22|
    SMILES:[H][C@@]12C[C@H](O[C@]3([H])OC[C@@H](O)[C@H](O)[C@H]3O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C |c:22|
  • 7-Xylosyl-10-deacetylbaccatin III is a natural product from Taxus brevifolia.
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