基本情報
- 標準SMILES
O=C(/C=C/[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1)COc1cccc(C(F)(F)F)c1- InChIKey
FLEHAOYBYPJWKG-SHQPEEILSA-N- 分子式
- C31H25F3O6
- 平均分子量
- 550.5 g/mol
名称と識別子
- 優先名称
- [1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester
- IUPAC
- [(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate
名称と別名
54142-64-2(3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate[1,1'-Biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester[(3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] 4-phenylbenzoate[1,1'-Biphenyl]-4-carboxylicacid,(3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-ylesterProstaglandin Impurity 22SCHEMBL5575196(3aR,4R,5R,6aS)-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylateAKOS025402012AC-28179AE-641/01179032(3aR,4R,5R,6aS)-2-Oxo-4-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-5-yl[1,1'-biphenyl]-4-carboxylate
名称をさらに表示
(3ar,4r,5r,6as)-4-[3-oxo-4-[3-(trifluoromethyl)phenoxy]-1e-butenyl]-5-(4-phenylbenzoyloxy)-hexahydro-2h-cyclopenta[b]furan-2-one2-oxo-4-{3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-butenyl}hexahydro-2H-cyclopenta[b]furan-5-yl [1,1'-biphenyl]-4-carboxylate
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 78.9 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 9
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 934
関連反応
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化合物ノート
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