Chem
J-GLOBAL ID：201507072525491615   Nikkaji number：J3.333.635G

(5S,6S,6aS,11aS)-11a-Hydroxy-6-(4-methoxybenzoyl)-5-[2-(4-fluorophenyl)-2-oxoethyl]-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene-11-one

(5S,6S,6aS,11aS)-5-[2-(4-フルオロフェニル)-2-オキソエチル]-11a-ヒドロキシ-6-(4-メトキシベンゾイル)-5H,6H,6aH,11H,11aH-ベンゾ[a]フルオレン-11-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： C33H25FO5
Molecular formula furigana： C33-H25-F-O5
Molecular weight： 520.556
InChI： InChI=1S/C33H25FO5/c1-39-22-16-12-20(13-17-22)31(36)29-26(18-28(35)19-10-14-21(34)15-11-19)23-6-4-5-9-27(23)33(38)30(29)24-7-2-3-8-25(24)32(33)37/h2-17,26,29-30,38H,18H2,1H3/t26-,29+,30-,33-/m1/s1
InChI key： BAXVZYUOACXRPI-SRFREDIOSA-N
SMILES： COc1ccc(cc1)C(=O)[C@@H]1[C@H]2c3ccccc3C(=O)[C@@]2(O)c2ccccc2[C@H]1CC(=O)c1ccc(F)cc1
Systematic name  (3)：
  • (5S,6S,6aS,11aS)-11a-ヒドロキシ-6-(4-メトキシベンゾイル)-5-[2-(4-フルオロフェニル)-2-オキソエチル]-6,6a,11,11a-テトラヒドロ-5H-ベンゾ[a]フルオレン-11-オン
  • (5S,6S,6aS,11aS)-5-[2-(4-フルオロフェニル)-2-オキソエチル]-11a-ヒドロキシ-6-(4-メトキシベンゾイル)-5H,6H,6aH,11H,11aH-ベンゾ[a]フルオレン-11-オン
  • (5S,6S,6aS,11aS)-5-[2-(4-fluorophenyl)-2-oxoethyl]-11a-hydroxy-6-(4-methoxybenzoyl)-5H,6H,6aH,11H,11aH-benzo[a]fluoren-11-one
Other name (1)：
  • (5S,6S,6aS,11aS)-11a-Hydroxy-6-(4-methoxybenzoyl)-5-[2-(4-fluorophenyl)-2-oxoethyl]-6,6a,11,11a-tetrahydro-5H-benzo[a]fluorene-11-one
Thsaurus map：
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