Chem
J-GLOBAL ID：200907054780300844   Nikkaji number：J413.910K

(-)-Clusianone

(-)-クルシアノン
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： C33H42O4
Molecular formula furigana： C33-H42-O4
Molecular weight： 502.695
InChI： InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,35H,15,18-20H2,1-8H3/t25-,32+,33-/m0/s1
InChI key： JXKKYQPCNJMAHZ-RFQWPUQQSA-N
SMILES： CC(=CC[C@H]1C[C@]2(CC=C(C)C)C(=C(C(=O)c3ccccc3)C(=O)[C@@](CC=C(C)C)(C2=O)C1(C)C)O)C
Systematic name  (4)：
  • (1R,5R)-3-ベンゾイル-4-ヒドロキシ-8,8-ジメチル-1,5,7α-トリス(3-メチル-2-ブテニル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5R)-1,5,7β-トリス(3-メチル-2-ブテニル)-3-ベンゾイル-2-ヒドロキシ-6,6-ジメチルビシクロ[3.3.1]ノナ-2-エン-4,9-ジオン
  • (1R,5R,7S)-3-ベンゾイル-4-ヒドロキシ-8,8-ジメチル-1,5,7-トリス(3-メチルブタ-2-エン-1-イル)ビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1R,5R,7S)-3-benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione
Other name (4)：
  • (1R,5R)-3-Benzoyl-4-hydroxy-8,8-dimethyl-1,5,7α-tris(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1R,5R)-1,5,7β-Tris(3-methyl-2-butenyl)-3-benzoyl-2-hydroxy-6,6-dimethylbicyclo[3.3.1]nona-2-ene-4,9-dione
  • (-)-クルシアノン
  • (-)-Clusianone
CAS registry number： 865084-59-9
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