Name: Cholesteryl Acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT106852509
Cas No:604-35-3
常用名:Cholesteryl Acetate
别名:胆甾醇乙酸酯, Cholesterol acetate, Cholesterin acetate, Acebrochol
别名:胆甾醇乙酸酯, Cholesterol acetate, Cholesterin acetate, Acebrochol
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
IUPAC:(1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
InChI key:XUGISPSHIFXEHZ-VEVYEIKRSA-N

分子式:C29H48O2
分子量:428.701
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:10.466
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:14|
SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O |t:14|

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