Chem
J-GLOBAL ID：200907090197384912   Nikkaji number：J413.909G

(+)-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-/m1/s1
InChI key： JXKKYQPCNJMAHZ-CBHGIOBQSA-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  (5)：
  • (1S,5S)-3-ベンゾイル-4-ヒドロキシ-8,8-ジメチル-1,5,7β-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
  • (1S,5S,7R)-1,5,7-トリス(3-メチル-2-ブテニル)-3-ベンゾイル-4-ヒドロキシ-8,8-ジメチルビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1S)-3-ベンゾイル-1α,5α,7β-トリプレニル-4-ヒドロキシ-8,8-ジメチルビシクロ[3.3.1]ノナ-3-エン-2,9-ジオン
  • (1S,5S,7R)-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
  • (1S,5S,7R)-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 (5)：
  • (1S,5S)-3-Benzoyl-4-hydroxy-8,8-dimethyl-1,5,7β-tris(3-methyl-2-butenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
  • (1S,5S,7R)-1,5,7-Tris(3-methyl-2-butenyl)-3-benzoyl-4-hydroxy-8,8-dimethylbicyclo[3.3.1]nona-3-ene-2,9-dione
  • (1S)-3-Benzoyl-1α,5α,7β-triprenyl-4-hydroxy-8,8-dimethylbicyclo[3.3.1]nona-3-ene-2,9-dione
  • (+)-クルシアノン
  • (+)-Clusianone
CAS registry number： 942305-08-0
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