Chem
J-GLOBAL ID：200907029772105205   Nikkaji number：J597.627H

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

(3R,5S,6E)-3,5-ジヒドロキシ-7-[1,2-ジイソプロピル-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： C23H30FNO4
Molecular formula furigana： C23-H30-F-N-O4
Molecular weight： 403.494
InChI： InChI=1S/C23H30FNO4/c1-14(2)23-20(10-9-18(26)11-19(27)12-22(28)29)21(13-25(23)15(3)4)16-5-7-17(24)8-6-16/h5-10,13-15,18-19,26-27H,11-12H2,1-4H3,(H,28,29)/b10-9+/t18-,19-/m1/s1
InChI key： JNPGUXGVLNJQSQ-BGGMYYEUSA-N
SMILES： CC(C)c1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(cn1C(C)C)c1ccc(F)cc1
Systematic name  (3)：
  • (3R,5S,6E)-3,5-ジヒドロキシ-7-[1,2-ジイソプロピル-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)-1,2-ビス(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)-1,2-bis(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyhept-6-enoic acid
Other name (1)：
  • (3R,5S,6E)-3,5-Dihydroxy-7-[1,2-diisopropyl-4-(4-fluorophenyl)-1H-pyrrol-3-yl]-6-heptenoic acid
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