Chemical Compound

(2aS)-3alpha-Acetyloxy-4,5,5a,7a,8,8a,11aalpha,13,13a,14,14abeta,14balpha-dodecahydro-8aalpha,13aalpha,14alpha-trihydroxy-5abeta,7aalpha-dimethyl-5alpha-[(2-methyl-1-oxo-2-butenyl)oxy]-2H-6beta,13bbeta-(epoxymethano)-8beta,13beta-methanofuro[3 ,2 :6,7]oxepino[4,3-c]isobenzofuro[1,7-gh][2]benzopyran-2a,6(3H,5balphaH)-dicarboxylic acid dimethyl ester

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(2aS)-3alpha-Acetyloxy-4,5,5a,7a,8,8a,11aalpha,13,13a,14,14abeta,14balpha-dodecahydro-8aalpha,13aalpha,14alpha-trihydroxy-5abeta,7aalpha-dimethyl-5alpha-[(2-methyl-1-oxo-2-butenyl)oxy]-2H-6beta,13bbeta-(epoxymethano)-8beta,13beta-methanofuro[3 ,2 :6,7]oxepino[4,3-c]isobenzofuro[1,7-gh][2]benzopyran-2a,6(3H,5balphaH)-dicarboxylic acid dimethyl ester 结构式
Primary record

(2aS)-3alpha-Acetyloxy-4,5,5a,7a,8,8a,11aalpha,13,13a,14,14abeta,14balpha-dodecahydro-8aalpha,13aalpha,14alpha-trihydroxy-5abeta,7aalpha-dimethyl-5alpha-[(2-methyl-1-oxo-2-butenyl)oxy]-2H-6beta,13bbeta-(epoxymethano)-8beta,13beta-methanofuro[3 ,2 :6,7]oxepino[4,3-c]isobenzofuro[1,7-gh][2]benzopyran-2a,6(3H,5balphaH)-dicarboxylic acid dimethyl ester

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
5458872
SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@@H]4[C@]5([C@@H]3O)CO[C@]4(O[C@@]6([C@]5([C@@H]7C[C@H]6[C@]8(C=CO[C@H]8O7)O)O)C)C(=O)OC)C)C(=O)OC)OC(=O)C
Canonical SMILES
C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C(=O)OC)CO[C@H]3[C@@H](O)[C@@]45CO[C@@](C(=O)OC)(O[C@@]6(C)[C@H]7C[C@H](O[C@@H]8OC=C[C@@]87O)[C@@]46O)[C@@H]5[C@]1(C)[C@@H]32

名称与同义词

  • azadirachtin
  • NSC368675
  • ZINC169723863
  • J15.065G
  • (2aS)-3alpha-Acetyloxy-4,5,5a,7a,8,8a,11aalpha,13,13a,14,14abeta,14balpha-dodecahydro-8aalpha,13aalpha,14alpha-trihydroxy-5abeta,7aalpha-dimethyl-5alpha-[(2-methyl-1-oxo-2-butenyl)oxy]-2H-6beta,13bbeta-(epoxymethano)-8beta,13beta-methanofuro[3 ,2 :6,7]oxepino[4,3-c]isobenzofuro[1,7-gh][2]benzopyran-2a,6(3H,5balphaH)-dicarboxylic acid dimethyl ester
  • 13,19-dimethyl (1R,2S,3S,5S,9S,10S,11S,13R,14R,15S,16S,18R,19S,22R,23S,26R)-18-(acetyloxy)-2,9,23-trihydroxy-11,15-dimethyl-16-[(2-methylbut-2-enoyl)oxy]-4,6,12,21,25-pentaoxaoctacyclo[11.10.2.13,10.115,19.01,14.02,11.05,9.022,26]heptacos-7-ene-13,19-dicarboxylate