Chem
J-GLOBAL ID:200907060352496610   Nikkaji number:J642.829K

(Z)-6-[2α-[1-Methyl-1-(4-bromophenoxy)ethyl]-4α-(3-pyridyl)-1,3-dioxan-5α-yl]-4-hexenoic acid

(Z)-6-[2α-[1-メチル-1-(4-ブロモフェノキシ)エチル]-4α-(3-ピリジル)-1,3-ジオキサン-5α-イル]-4-ヘキセン酸
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: C24H28BrNO5
Molecular formula furigana: C24-H28-BR-N-O5
Molecular weight: 490.394
InChI: InChI=1S/C24H28BrNO5/c1-24(2,31-20-12-10-19(25)11-13-20)23-29-16-18(7-4-3-5-9-21(27)28)22(30-23)17-8-6-14-26-15-17/h3-4,6,8,10-15,18,22-23H,5,7,9,16H2,1-2H3,(H,27,28)/b4-3-/t18-,22-,23+/m1/s1
InChI key: HCFZUTSDEMKXQB-WBWTVWGBSA-N
SMILES: CC(C)(Oc1ccc(Br)cc1)[C@H]1OC[C@@H](C/C=C\CCC(=O)O)[C@H](O1)c1cccnc1
Systematic name  (3):
  • (Z)-6-[2α-[1-メチル-1-(4-ブロモフェノキシ)エチル]-4α-(3-ピリジル)-1,3-ジオキサン-5α-イル]-4-ヘキセン酸
  • (4Z)-6-[(2S,4S,5R)-2-[2-(4-ブロモフェノキシ)プロパン-2-イル]-4-(ピリジン-3-イル)-1,3-ジオキサン-5-イル]ヘキサ-4-エン酸
  • (4Z)-6-[(2S,4S,5R)-2-[2-(4-bromophenoxy)propan-2-yl]-4-(pyridin-3-yl)-1,3-dioxan-5-yl]hex-4-enoic acid
Other name (1):
  • (Z)-6-[2α-[1-Methyl-1-(4-bromophenoxy)ethyl]-4α-(3-pyridyl)-1,3-dioxan-5α-yl]-4-hexenoic acid
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