Chem
J-GLOBAL ID:200907004550252380   Nikkaji number:J1.465.563H

4-(2-Acetoxy-5-methylphenyl)-4-(3-benzoyloxy-6,7,8,9,11,12,13,14-octahydro-13-methyl-15H-cyclopenta[a]phenanthrene-17-yl)-2-methyl-3-butene-2-ol

4-(2-アセトキシ-5-メチルフェニル)-4-(3-ベンゾイルオキシ-6,7,8,9,11,12,13,14-オクタヒドロ-13-メチル-15H-シクロペンタ[a]フェナントレン-17-イル)-2-メチル-3-ブテン-2-オール
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: C39H42O5
Molecular formula furigana: C39-H42-O5
Molecular weight: 590.760
InChI: InChI=1S/C39H42O5/c1-24-11-18-36(43-25(2)40)32(21-24)33(23-38(3,4)42)35-17-16-34-31-14-12-27-22-28(44-37(41)26-9-7-6-8-10-26)13-15-29(27)30(31)19-20-39(34,35)5/h6-11,13,15,17-18,21-23,30-31,34,42H,12,14,16,19-20H2,1-5H3
InChI key: LBOYQPUNHJIYCE-UHFFFAOYSA-N
SMILES: CC(=O)Oc1ccc(C)cc1C(=CC(C)(C)O)C1=CCC2C3CCc4cc(OC(=O)c5ccccc5)ccc4C3CCC12C
Systematic name  (3):
  • 4-(2-アセトキシ-5-メチルフェニル)-4-(3-ベンゾイルオキシ-6,7,8,9,11,12,13,14-オクタヒドロ-13-メチル-15H-シクロペンタ[a]フェナントレン-17-イル)-2-メチル-3-ブテン-2-オール
  • 1-{1-[2-(アセチルオキシ)-5-メチルフェニル]-3-ヒドロキシ-3-メチルブタ-1-エン-1-イル}-11a-メチル-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル ベンゾアート
  • 1-{1-[2-(acetyloxy)-5-methylphenyl]-3-hydroxy-3-methylbut-1-en-1-yl}-11a-methyl-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl benzoate
Other name (1):
  • 4-(2-Acetoxy-5-methylphenyl)-4-(3-benzoyloxy-6,7,8,9,11,12,13,14-octahydro-13-methyl-15H-cyclopenta[a]phenanthrene-17-yl)-2-methyl-3-butene-2-ol
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