Chem
J-GLOBAL ID：200907022065774589   Nikkaji number：J1.841.762F

(1S,6S)-1α-Methyl-5-[(4-methylbenzyl)oxy]-7,7-bis(p-tolyl)-2,8-dioxabicyclo[4.2.0]octa-4-ene-3-one

(6α)-5-(4-メチルベンジルオキシ)-7,7-ビス(4-メチルフェニル)-1α-メチル-2,8-ジオキサビシクロ[4.2.0]オクタ-4-エン-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： C29H28O4
Molecular formula furigana： C29-H28-O4
Molecular weight： 440.539
InChI： InChI=1S/C29H28O4/c1-19-5-11-22(12-6-19)18-31-25-17-26(30)32-28(4)27(25)29(33-28,23-13-7-20(2)8-14-23)24-15-9-21(3)10-16-24/h5-17,27H,18H2,1-4H3/t27-,28-/m1/s1
InChI key： HKAOQDMLTMZXPL-VSGBNLITSA-N
SMILES： Cc1ccc(COC2=CC(=O)O[C@]3(C)OC([C@H]23)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
Systematic name  (5)：
  • (1S,6S)-1α-メチル-5-[(4-メチルベンジル)オキシ]-7,7-ビス(p-トリル)-2,8-ジオキサビシクロ[4.2.0]オクタ-4-エン-3-オン
  • (6α)-5-(4-メチルベンジルオキシ)-7,7-ビス(4-メチルフェニル)-1α-メチル-2,8-ジオキサビシクロ[4.2.0]オクタ-4-エン-3-オン
  • (1S,6S)-1-メチル-5-(4-メチルベンジルオキシ)-7,7-ビス(4-メチルフェニル)-2,8-ジオキサビシクロ[4.2.0]オクタ-4-エン-3-オン
  • (1S,6S)-1-メチル-7,7-ビス(4-メチルフェニル)-5-[(4-メチルフェニル)メトキシ]-2,8-ジオキサビシクロ[4.2.0]オクタ-4-エン-3-オン
  • (1S,6S)-1-methyl-7,7-bis(4-methylphenyl)-5-[(4-methylphenyl)methoxy]-2,8-dioxabicyclo[4.2.0]oct-4-en-3-one
Other name (3)：
  • (1S,6S)-1α-Methyl-5-[(4-methylbenzyl)oxy]-7,7-bis(p-tolyl)-2,8-dioxabicyclo[4.2.0]octa-4-ene-3-one
  • (6α)-5-(4-Methylbenzyloxy)-7,7-bis(4-methylphenyl)-1α-methyl-2,8-dioxabicyclo[4.2.0]octa-4-ene-3-one
  • (1S,6S)-1-Methyl-5-(4-methylbenzyloxy)-7,7-bis(4-methylphenyl)-2,8-dioxabicyclo[4.2.0]octa-4-ene-3-one
Thsaurus map：
Thesaurus Map

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