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  3. HIT214983053
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HIT214983053
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HIT214983053
  • HIT ID:HIT214983053
  • Cas No:260979-95-1
  • 常用名:(1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
    常用名:(1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
  • IUPAC:(1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
    IUPAC:(1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.0^{1,14}.0^{2,11}.0^{5,10}]henicos-2-ene-6-carboxylic acid
  • InChI key:IAOFPTKYKOAKGZ-CRWQHXLTSA-N
  • 分子式:C38H60O12
  • 分子量:708.886
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]1(O[C@H]2[C@@H](C[C@@]34C(O)OC[C@]2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)OC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
    SMILES:[H][C@@]1(O[C@H]2[C@@H](C[C@@]34C(O)OC[C@]2(C)[C@]3([H])CC[C@@]2([H])C4=CC[C@@]3(C)[C@H](C(O)=O)[C@](C)(CC[C@]23C)[C@H](C)C(C)C)OC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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