HIT ID: HIT100206240
Cas No:
分子式: C22H32O4
分子量: 360.494
常用名: 15-Hydroxy-16-kauren-19-oic acid
常用名: 15-Hydroxy-16-kauren-19-oic acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 5.940000000000000e+000
IUPAC: (4S,5R,10S,15R)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
IUPAC: (4S,5R,10S,15R)-15-(acetyloxy)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
SMILES: CC(=O)O[C@@H]1C(=C)C2CC11CC[C@H]3C(C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
SMILES: CC(=O)O[C@@H]1C(=C)C2CC11CC[C@H]3C(C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
InChI key: AQBQBBLJTDSVLC-ACOIPTRASA-N
