Chem
J-GLOBAL ID：201807014540593648   Nikkaji number：J3.717.687G

(3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-bromo-5-isopropyl-1H-pyrrole-1-yl]-9,9-dimethyl-3,5-(epoxymethanoxy)heptanoic acid tert-butyl ester

(3R,5R)-7-[2-(4-フルオロフェニル)-3-フェニル-4-ブロモ-5-イソプロピル-1H-ピロール-1-イル]-9,9-ジメチル-3,5-(エポキシメタノキシ)ヘプタン酸tert-ブチル
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： C33H41BrFNO4
Molecular formula furigana： C33-H41-BR-F-N-O4
Molecular weight： 614.596
InChI： InChI=1S/C33H41BrFNO4/c1-21(2)30-29(34)28(22-11-9-8-10-12-22)31(23-13-15-24(35)16-14-23)36(30)18-17-25-19-26(39-33(6,7)38-25)20-27(37)40-32(3,4)5/h8-16,21,25-26H,17-20H2,1-7H3/t25-,26-/m1/s1
InChI key： XNCGCVDJNUIXNH-CLJLJLNGSA-N
SMILES： CC(C)c1c(Br)c(c(c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1)c1ccccc1
Systematic name  (3)：
  • (3R,5R)-7-[2-(4-フルオロフェニル)-3-フェニル-4-ブロモ-5-イソプロピル-1H-ピロール-1-イル]-9,9-ジメチル-3,5-(エポキシメタノキシ)ヘプタン酸tert-ブチル
  • tert-ブチル 2-[(4R,6R)-6-{2-[3-ブロモ-5-(4-フルオロフェニル)-4-フェニル-2-(プロパン-2-イル)-1H-ピロール-1-イル]エチル}-2,2-ジメチル-1,3-ジオキサン-4-イル]アセタート
  • tert-butyl 2-[(4R,6R)-6-{2-[3-bromo-5-(4-fluorophenyl)-4-phenyl-2-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Other name (1)：
  • (3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-bromo-5-isopropyl-1H-pyrrole-1-yl]-9,9-dimethyl-3,5-(epoxymethanoxy)heptanoic acid tert-butyl ester
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