Chem
J-GLOBAL ID：200907072275193870   Nikkaji number：J958.532J

(-)-Boscialin

(-)-ボシアリン
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： C13H22O3
Molecular formula furigana： C13-H22-O3
Molecular weight： 226.316
InChI： InChI=1S/C13H22O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9,11,15-16H,7-8H2,1-4H3/b6-5+/t9-,11+,13-/m1/s1
InChI key： CWLKAPCFJXJCEO-SGEPYOGPSA-N
SMILES： C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(=O)C
Systematic name  (3)：
  • (E)-4-[(1S)-1β,4β-ジヒドロキシ-2,2,6β-トリメチルシクロヘキシル]-3-ブテン-2-オン
  • (3E)-4-[(1S,4S,6R)-1,4-ジヒドロキシ-2,2,6-トリメチルシクロヘキシル]ブタ-3-エン-2-オン
  • (3E)-4-[(1S,4S,6R)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]but-3-en-2-one
Other name (3)：
  • (E)-4-[(1S)-1β,4β-Dihydroxy-2,2,6β-trimethylcyclohexyl]-3-butene-2-one
  • (-)-ボシアリン
  • (-)-Boscialin
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