Name: spinetoram j
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212038467
Cas No:187166-40-1
常用名:spinetoram j
IUPAC:(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
IUPAC:(2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-{[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
InChI key:GOENIMGKWNZVDA-RWGFPKGXSA-N

分子式:C42H69NO10
分子量:748.011
氢键供体数 (HBD):0
氢键受体数 (HBA):10
LogP:6.318808
SMILES:[H][C@@]12C[C@H](C[C@@]1([H])[C@]1([H])C=C3C(=O)[C@H](C)[C@H](CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])CC2)O[C@@]1([H])CC[C@@H]([C@@H](C)O1)N(C)C)O[C@]1([H])O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]1OC |t:10|
SMILES:[H][C@@]12C[C@H](C[C@@]1([H])[C@]1([H])C=C3C(=O)[C@H](C)[C@H](CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])CC2)O[C@@]1([H])CC[C@@H]([C@@H](C)O1)N(C)C)O[C@]1([H])O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]1OC |t:10|

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