Chem
J-GLOBAL ID:200907099040537569
Nikkaji number:J597.633B
(3R,5S)-3,5-Dihydroxy-7-[1-cyclohexyl-2-isopropyl-4-(4-fluorophenyl)-1H-pyrrol-3-yl]heptanoic acid
(3R,5S)-3,5-ジヒドロキシ-7-[1-シクロヘキシル-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]ヘプタン酸
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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:
C26 H36 FNO4
Molecular formula furigana:
C26-H36-F-N-O4
Molecular weight:
445.575
InChI:
InChI=1S/C26H36FNO4/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/h8-11,16-17,20-22,29-30H,3-7,12-15H2,1-2H3,(H,31,32)/t21-,22+/m0/s1
InChI key:
RODBEKUWCLMBSW-FCHUYYIVSA-N
SMILES:
CC(C)c1c(CC[C@H](O)C[C@@H](O)CC(=O)O)c(cn1C1CCCCC1)c1ccc(F)cc1
Systematic name (3):
(3R,5S)-3,5-ジヒドロキシ-7-[1-シクロヘキシル-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]ヘプタン酸
(3R,5S)-7-[1-シクロヘキシル-4-(4-フルオロフェニル)-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ン酸
(3R,5S)-7-[1-cyclohexyl-4-(4-fluorophenyl)-2-(propan-2-yl)-1H-pyrrol-3-yl]-3,5-dihydroxyheptanoic acid
Other name (1):
(3R,5S)-3,5-Dihydroxy-7-[1-cyclohexyl-2-isopropyl-4-(4-fluorophenyl)-1H-pyrrol-3-yl]heptanoic acid
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