Chem
J-GLOBAL ID：200907034780064414   Nikkaji number：J597.615D

(3R,5S,6E)-3,5-Dihydroxy-7-[1-phenyl-2-isopropyl-4-(4-fluorophenyl)-1H-pyrrol-3-yl]-6-heptenoic acid

(3R,5S,6E)-3,5-ジヒドロキシ-7-[1-フェニル-2-イソプロピル-4-(4-フルオロフェニル)-1H-ピロール-3-イル]-6-ヘプテン酸
Substance type：
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
Molecular formula： C26H28FNO4
Molecular formula furigana： C26-H28-F-N-O4
Molecular weight： 437.511
InChI： InChI=1S/C26H28FNO4/c1-17(2)26-23(13-12-21(29)14-22(30)15-25(31)32)24(18-8-10-19(27)11-9-18)16-28(26)20-6-4-3-5-7-20/h3-13,16-17,21-22,29-30H,14-15H2,1-2H3,(H,31,32)/b13-12+/t21-,22-/m1/s1
InChI key： VAVHMEQFYYBAPR-ITWZMISCSA-N
SMILES： CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(cn1c1ccccc1)c1ccc(F)cc1
Systematic name  (3)：
  • (3R,5S,6E)-3,5-ジヒドロキシ-7-[1-フェニル-2-イソプロピル-4-(4-フルオロフェニル)-1H-ピロール-3-イル]-6-ヘプテン酸
  • (3R,5S,6E)-7-[4-(4-フルオロフェニル)-1-フェニル-2-(プロパン-2-イル)-1H-ピロール-3-イル]-3,5-ジヒドロキシヘプタ-6-エン酸
  • (3R,5S,6E)-7-[4-(4-fluorophenyl)-1-phenyl-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoic acid
Other name (1)：
  • (3R,5S,6E)-3,5-Dihydroxy-7-[1-phenyl-2-isopropyl-4-(4-fluorophenyl)-1H-pyrrol-3-yl]-6-heptenoic acid
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