Chem
J-GLOBAL ID：200907038464173347   Nikkaji number：J2.231.505F

1β-Phenyl-2aα-(4-methoxybenzoyl)-1,2,2a,8bα-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one

1β-フェニル-2aα-(4-メトキシベンゾイル)-1,2,2a,8bα-テトラヒドロ-3H-ベンゾ[b]シクロブタ[d]ピラン-3-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： C25H20O4
Molecular formula furigana： C25-H20-O4
Molecular weight： 384.431
InChI： InChI=1S/C25H20O4/c1-28-18-13-11-17(12-14-18)23(26)25-15-20(16-7-3-2-4-8-16)22(25)19-9-5-6-10-21(19)29-24(25)27/h2-14,20,22H,15H2,1H3/t20-,22+,25-/m1/s1
InChI key： HMIBLPNXYWKGDJ-JLRUASKGSA-N
SMILES： COc1ccc(cc1)C(=O)[C@@]12C[C@@H]([C@@H]1c1ccccc1OC2=O)c1ccccc1
Systematic name  (3)：
  • 1β-フェニル-2aα-(4-メトキシベンゾイル)-1,2,2a,8bα-テトラヒドロ-3H-ベンゾ[b]シクロブタ[d]ピラン-3-オン
  • (2R,3S,5R)-5-(4-メトキシベンゾイル)-3-フェニル-7-オキサトリシクロ[6.4.0.02,5]ドデカ-1(12),8,10-トリエン-6-オン
  • (2R,3S,5R)-5-(4-methoxybenzoyl)-3-phenyl-7-oxatricyclo[6.4.0.02,5]dodeca-1(12),8,10-trien-6-one
Other name (1)：
  • 1β-Phenyl-2aα-(4-methoxybenzoyl)-1,2,2a,8bα-tetrahydro-3H-benzo[b]cyclobuta[d]pyran-3-one
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