Chem
J-GLOBAL ID：200907000972023884
Nikkaji number：J271.489B
(4R,6S)-6β-[(E)-2-[4-(4-Fluorophenyl)-2-isopropyl-6-tert-butyl-3-pyridinyl]ethenyl]tetrahydro-4α-hydroxy-2H-pyran-2-one
(4R,6S)-6-[(1E)-2-[6-tert-ブチル-4-(4-フルオロフェニル)-2-(プロパン-2-イル)ピリジン-3-イル]エテニル]-4-ヒドロキシオキサン-2-オン
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C25H30FNO3
Molecular formula furigana： C25-H30-F-N-O3
Molecular weight： 411.517
InChI：
InChI=1S/C25H30FNO3/c1-15(2)24-20(11-10-19-12-18(28)13-23(29)30-19)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16/h6-11,14-15,18-19,28H,12-13H2,1-5H3/b11-10+/t18-,19-/m1/s1
InChI key：
VPMIAOSOTOODMY-MMKWGKFASA-N
SMILES：
CC(C)c1nc(cc(c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)C(C)(C)C
Systematic name (3)：
- (4R,6S)-6β-[(E)-2-[4-(4-フルオロフェニル)-2-イソプロピル-6-tert-ブチル-3-ピリジニル]エテニル]テトラヒドロ-4α-ヒドロキシ-2H-ピラン-2-オン
- (4R,6S)-6-[(1E)-2-[6-tert-ブチル-4-(4-フルオロフェニル)-2-(プロパン-2-イル)ピリジン-3-イル]エテニル]-4-ヒドロキシオキサン-2-オン
- (4R,6S)-6-[(1E)-2-[6-tert-butyl-4-(4-fluorophenyl)-2-(propan-2-yl)pyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one
- (4R,6S)-6β-[(E)-2-[4-(4-Fluorophenyl)-2-isopropyl-6-tert-butyl-3-pyridinyl]ethenyl]tetrahydro-4α-hydroxy-2H-pyran-2-one
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