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HIT214319690
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HIT214319690
  • HIT ID:HIT214319690
  • Cas No:41710-20-7
  • 常用名:Larkspur alkaloid
  • 别名:Bicoloridine
  • IUPAC:(2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-18-yl acetate
    IUPAC:(2R,3R,4S,5S,6S,8R,9R,10R,13R,16S,17R,18S)-11-ethyl-4,16-dihydroxy-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-18-yl acetate
  • InChI key:RWHDHYFSEUPSHJ-QOKNDQLHSA-N
  • 分子式:C25H39NO6
  • 分子量:449.588
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](C[C@@H]2OC)(OC)[C@@]1([H])[C@@H](OC(C)=O)[C@@]2([H])C33[C@@H](O)CC[C@@]2(C)CN(CC)[C@]13[H] |TLB:34:33:25:18.16,9:16:25:33.32.30,3:25:18.16:33.32.30,8:7:3.2:9.11.10,THB:26:25:18.16:33.32.30,18:23:36.33.32:26.29.28,19:18:25:33.32.30,33:36:23.18:9.5.3,31:30:25:18.16,29:30:25:18.16|
    SMILES:[H][C@]12C[C@]3([H])[C@]([H])([C@H]1O)[C@@](C[C@@H]2OC)(OC)[C@@]1([H])[C@@H](OC(C)=O)[C@@]2([H])C33[C@@H](O)CC[C@@]2(C)CN(CC)[C@]13[H] |TLB:34:33:25:18.16,9:16:25:33.32.30,3:25:18.16:33.32.30,8:7:3.2:9.11.10,THB:26:25:18.16:33.32.30,18:23:36.33.32:26.29.28,19:18:25:33.32.30,33:36:23.18:9.5.3,31:30:25:18.16,29:30:25:18.16|
  • Larkspur alkaloid is a bioactive chemical.
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