Turbinaric acid
HIT212671591
sdf文件结构编辑类似物检索
HIT ID: HIT212671591
Cas No: 56882-00-9
分子式: C27H44O2
分子量: 400.647
常用名: Turbinaric acid
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 8.331193
IUPAC: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
IUPAC: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6](-[#8])=O
SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6](-[#8])=O
InChI key: BJHPHCBHTOHNEI-KDSGDVRDSA-N
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