Chem
J-GLOBAL ID:200907016940803490   Nikkaji number:J884.017B

(3R,5S,6E)-3,5-Dihydroxy-7-[1-isopropyl-3-(4-fluorophenyl)-1H-indol-2-yl]-6-heptenoic acid tert-butyl ester

(3R,5S,6E)-3,5-ジヒドロキシ-7-[1-イソプロピル-3-(4-フルオロフェニル)-1H-インドール-2-イル]-6-ヘプテン酸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: C28H34FNO4
Molecular formula furigana: C28-H34-F-N-O4
Molecular weight: 467.581
InChI: InChI=1S/C28H34FNO4/c1-18(2)30-24-9-7-6-8-23(24)27(19-10-12-20(29)13-11-19)25(30)15-14-21(31)16-22(32)17-26(33)34-28(3,4)5/h6-15,18,21-22,31-32H,16-17H2,1-5H3/b15-14+/t21-,22-/m1/s1
InChI key: USGKHYXJISAYPE-UQECUQMJSA-N
SMILES: CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)OC(C)(C)C)c(c2ccc(F)cc2)c2ccccc12
Systematic name  (3):
  • (3R,5S,6E)-3,5-ジヒドロキシ-7-[1-イソプロピル-3-(4-フルオロフェニル)-1H-インドール-2-イル]-6-ヘプテン酸tert-ブチル
  • tert-ブチル (3R,5S,6E)-7-[3-(4-フルオロフェニル)-1-(プロパン-2-イル)-1H-インドール-2-イル]-3,5-ジヒドロキシヘプタ-6-エノアート
  • tert-butyl (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate
Other name (1):
  • (3R,5S,6E)-3,5-Dihydroxy-7-[1-isopropyl-3-(4-fluorophenyl)-1H-indol-2-yl]-6-heptenoic acid tert-butyl ester
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