ent-11alpha-Hydroxy-15-oxokaur-16-en-19-oic acid
HIT214315861
sdf文件结构编辑类似物检索
HIT ID: HIT214315861
Cas No: 57719-81-0
分子式: C20H28O4
分子量: 332.44
常用名: ent-11alpha-Hydroxy-15-oxokaur-16-en-19-oic acid
常用名: ent-11alpha-Hydroxy-15-oxokaur-16-en-19-oic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,4S,5R,9R,10S,11S,13R)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
IUPAC: (1R,4S,5R,9R,10S,11S,13R)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5-carboxylic acid
SMILES: [H][C@]12CC[C@@]34C[C@H](C[C@H](O)[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)C4=O
SMILES: [H][C@]12CC[C@@]34C[C@H](C[C@H](O)[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(O)=O)C(=C)C4=O
InChI key: NSFLYGNWNATSHL-DURQJQQASA-N
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