Chemical Compound

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

CAS Registry Number 95507-03-2
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(2aR,4abeta,7aS,10bbeta)-10beta-Acetyloxy-2a,3,4,4a,5,9,10,10b-octahydro-3beta,5alpha-dihydroxy-4alpha-methyl-8alpha-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4beta-[[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin]-1a(2H)-yl]-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester 结构式
Primary record

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

库存
7,373 克
纯度
99.1 %
CAS
95507-03-2

化合物标识与属性

CAS
95507-03-2
PubChem CID
16126804
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@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@@]5(O6)C)[C@]8(C=CO[C@H]8O7)O)(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](O)[C@@](C)([C@]45O[C@@]4(C)[C@H]4C[C@@H]5O[C@@H]5OC=C[C@@]54O)[C@H]4[C@]1(CO[C@]4(O)C(=O)OC)[C@@H]32

名称与同义词

  • azadirachtin B
  • AZADIRACHTIN-B
  • CHEMBL2288846
  • CHEBI:38471
  • C35-H44-O16
  • J413.234C
  • Q27104447
  • 95507-03-2
  • dimethyl (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-10-acetoxy-3,5-dihydroxy-4-[(1aR,2S,3aS,6aS,7S,7aS)-6a-hydroxy-7a-methyl-3a,6a,7,7a-tetrahydro-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-4-methyl-8-{[(2E)-2-methylbut-2-enoyl]oxy}octahydro-1H-naphtho[1,8a-c:4,5-b'c']difuran-5,10a(8H)-dicarboxylate
  • (2aR,4abeta,7aS,10bbeta)-10beta-Acetyloxy-2a,3,4,4a,5,9,10,10b-octahydro-3beta,5alpha-dihydroxy-4alpha-methyl-8alpha-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4beta-[[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin]-1a(2H)-yl]-1H-naphtho[1,8-bc:4,4a-c ]difuran-5beta,10aalpha(8H)-dicarboxylic acid dimethyl ester
  • 1H,7H-Naphtho[1,8-bc:4,4a-c']difuran-5,10a(8H)-dicarboxylic acid, 10-(acetyloxy)octahydro-3,5-dihydroxy-4-methyl-8-[[(2E)-2-methyl-1-oxo-2-butenyl]oxy]-4-[(1aR,2S,3aS,6aS,7S,7aS)-3a,6a,7,7a-tetrahydro-6a-hydroxy-7a-methyl-2,7-methanofuro[2,3-b]oxireno[e]oxepin-1a(2H)-yl]-, dimethyl ester, (2aR,3S,4S,4aR,5S,7aS,8R,10R,10aS,10bR)-
  • 4,11-dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14R,15R)-12-(acetyloxy)-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-{[(2E)-2-methylbut-2-enoyl]oxy}-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate