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HIT218848560
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HIT218848560
  • HIT ID:HIT218848560
  • Cas No:33510-25-7
  • 常用名:Neoeuonymine
  • IUPAC:[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,25S)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
    IUPAC:[(1S,3R,13S,14S,17S,18R,19R,20R,21S,22R,23S,25S)-18,19,21,22-tetrakis(acetyloxy)-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0^{1,20}.0^{3,23}.0^{7,12}]pentacosa-7(12),8,10-trien-20-yl]methyl acetate
  • InChI key:NKTOESKXBIEREY-UFVATRKSSA-N
  • 分子式:C36H45NO17
  • 分子量:763.746
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[H][C@@]12C(O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
    SMILES:[H][C@@]12C(O)[C@@]34O[C@@]1(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@]([H])([C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O
  • Neoeuonymine, an alkaloid, can be isolated from Euonymus sieboldiana [1].
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