Name: 3Alaph-Tigloyloxypterokaurene L3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213887137
Cas No:1588516-87-3
常用名:3Alaph-Tigloyloxypterokaurene L3
常用名:3Alaph-Tigloyloxypterokaurene L3
IUPAC:(1S,4S,5S,6R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
IUPAC:(1S,4S,5S,6R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-6-{[(2E)-2-methylbut-2-enoyl]oxy}-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
InChI key:OMEDWFNWWHKRJU-KMRCWPNYSA-N

分子式:C25H36O5
分子量:416.558
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O
SMILES:C\C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O

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