HIT ID: HIT211999634
Cas No: 103335-55-3
分子式: C19H29NO3
分子量: 319.445
常用名: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
常用名: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 2.6049955
IUPAC: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-hexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
IUPAC: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-dimethyl-2-oxo-hexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
SMILES: [H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C
SMILES: [H][C@@]12CC[C@H](C(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)CC[C@]12C
InChI key: MJXIPHMGYJXKLJ-MLGOENBGSA-N
