Chemical Compound

(2aR,7aS)-5-Hydroxy-4-methyl-3beta,4beta-[oxy[(3abeta,6alpha-dihydroxy-5alpha-methyl-3a,4,5,6,7,8abeta-hexahydro-4alpha,7alpha-methanofuro[2,3-b]oxepin)-5,6-diyl]]-8beta-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-10beta-acetoxy-2aalpha,3,4,4abeta,5,9,10,10bbeta-octahydro-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester

CAS Registry Number 11141-17-6
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(2aR,7aS)-5-Hydroxy-4-methyl-3beta,4beta-[oxy[(3abeta,6alpha-dihydroxy-5alpha-methyl-3a,4,5,6,7,8abeta-hexahydro-4alpha,7alpha-methanofuro[2,3-b]oxepin)-5,6-diyl]]-8beta-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-10beta-acetoxy-2aalpha,3,4,4abeta,5,9,10,10bbeta-octahydro-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester 结构式
Primary record

(2aR,7aS)-5-Hydroxy-4-methyl-3beta,4beta-[oxy[(3abeta,6alpha-dihydroxy-5alpha-methyl-3a,4,5,6,7,8abeta-hexahydro-4alpha,7alpha-methanofuro[2,3-b]oxepin)-5,6-diyl]]-8beta-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-10beta-acetoxy-2aalpha,3,4,4abeta,5,9,10,10bbeta-octahydro-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester

库存
8,604 克
纯度
98.9 %
CAS
11141-17-6

化合物标识与属性

CAS
11141-17-6
PubChem CID
5281876
SMILES
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]5([C@@H]3O[C@]6([C@@]5([C@@H]7C[C@H]6[C@]8(C=CO[C@H]8O7)O)O)C)C)(C(=O)OC)O)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]4O[C@]5(C)[C@H]6C[C@H](O[C@@H]7OC=C[C@@]76O)[C@]5(O)[C@@]4(C)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32

名称与同义词

  • Azadirachtinin
  • 3-Acetyl-1-tigloylazadirachtinin
  • CHEBI:1442
  • SCHEMBL29393332
  • CID5281876
  • LMPR0106100002
  • C11047
  • J848.805C
  • Q27105458
  • (2aR,7aS)-5-Hydroxy-4-methyl-3beta,4beta-[oxy[(3abeta,6alpha-dihydroxy-5alpha-methyl-3a,4,5,6,7,8abeta-hexahydro-4alpha,7alpha-methanofuro[2,3-b]oxepin)-5,6-diyl]]-8beta-[[(E)-2-methyl-1-oxo-2-butenyl]oxy]-10beta-acetoxy-2aalpha,3,4,4abeta,5,9,10,10bbeta-octahydro-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester
  • 11141-17-6
  • 4,22-dimethyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22S,23R,25S,26R)-23-(acetyloxy)-4,7,14-trihydroxy-6,16-dimethyl-25-{[(2E)-2-methylbut-2-enoyl]oxy}-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4,22-dicarboxylate
  • dimethyl (1S,4S,5R,6S,7R,8S,10S,14S,15S,16R,18S,19R,22S,23R,25S,26R)-23-acetyloxy-4,7,14-trihydroxy-6,16-dimethyl-25-[(E)-2-methylbut-2-enoyl]oxy-3,9,11,17,20-pentaoxaoctacyclo[17.6.1.18,15.01,5.06,18.07,16.010,14.022,26]heptacos-12-ene-4,22-dicarboxylate