Carfluzepic acid
HIT219158806
sdf文件结构编辑类似物检索
HIT ID: HIT219158806
Cas No: 78368-54-4
分子式: C22H32O9
分子量: 440.489
常用名: Carfluzepic acid
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate
IUPAC: (1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0^{2,7}]dodecan]-5'-en-4'-yl 3-hydroxy-3-methylbutanoate
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)(C)O
SMILES: [H][C@@]12O[C@]3([H])C=C(C)[C@H](C[C@]3(COC(C)=O)[C@@](C)([C@H](O)[C@H]1O)[C@]21CO1)OC(=O)CC(C)(C)O
InChI key: OJBCMLLFVXXDGS-QDSVCGCGSA-N
共显示2个结果
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SC
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