Chem
J-GLOBAL ID：200907087918128865   Nikkaji number：J1.867.309F

4-[2α-Hydroxy-4α-(4-bromobenzoyloxy)-2,6,6-trimethylcyclohexylidene]-3-butene-2-one

4-[2α-ヒドロキシ-4α-(4-ブロモベンゾイルオキシ)-2,6,6-トリメチルシクロヘキシリデン]-3-ブテン-2-オン
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： C20H23BrO4
Molecular formula furigana： C20-H23-BR-O4
Molecular weight： 407.304
InChI： InChI=1S/C20H23BrO4/c1-13(22)5-10-17-19(2,3)11-16(12-20(17,4)24)25-18(23)14-6-8-15(21)9-7-14/h5-9,16,24H,11-12H2,1-4H3/t10?,16-,20-/m1/s1
InChI key： ALPAXVZDCZIGKF-WPEGVQFTSA-N
SMILES： CC(=O)C=C=C1C(C)(C)C[C@H](C[C@@]1(C)O)OC(=O)c1ccc(Br)cc1
Systematic name  (3)：
  • 4-[2α-ヒドロキシ-4α-(4-ブロモベンゾイルオキシ)-2,6,6-トリメチルシクロヘキシリデン]-3-ブテン-2-オン
  • (1R,3R)-3-ヒドロキシ-3,5,5-トリメチル-4-(3-オキソブタ-1-エン-1-イリデン)シクロヘキシル 4-ブロモベンゾアート
  • (1R,3R)-3-hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-ylidene)cyclohexyl 4-bromobenzoate
Other name (1)：
  • 4-[2α-Hydroxy-4α-(4-bromobenzoyloxy)-2,6,6-trimethylcyclohexylidene]-3-butene-2-one
Thsaurus map：
Thesaurus Map

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