Chem
J-GLOBAL ID：200907002940183599   Nikkaji number：J2.132.672K

6-[3-(Benzoylamino)phenyl]-1-oxo-3α-methoxy-2aα,4a,7aα,7bα-tetrahydro-3H-2,4,5-trioxa-1H-cyclopenta[cd]indene-4aα-carboxylic acid methyl ester

6-[3-(ベンゾイルアミノ)フェニル]-1-オキソ-3α-メトキシ-2aα,4a,7aα,7bα-テトラヒドロ-3H-2,4,5-トリオキサ-1H-シクロペンタ[cd]インデン-4aα-カルボン酸メチル
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： C24H21NO8
Molecular formula furigana： C24-H21-N-O8
Molecular weight： 451.431
InChI： InChI=1S/C24H21NO8/c1-29-22-19-18-16(21(27)31-19)12-17(32-24(18,33-22)23(28)30-2)14-9-6-10-15(11-14)25-20(26)13-7-4-3-5-8-13/h3-12,16,18-19,22H,1-2H3,(H,25,26)/t16-,18+,19-,22-,24+/m1/s1
InChI key： PWWIFNNTSZHBBT-LVBZGJIPSA-N
SMILES： CO[C@@H]1O[C@]2(OC(=C[C@@H]3[C@H]2[C@H]1OC3=O)c1cccc(NC(=O)c2ccccc2)c1)C(=O)OC
Systematic name  (3)：
  • 6-[3-(ベンゾイルアミノ)フェニル]-1-オキソ-3α-メトキシ-2aα,4a,7aα,7bα-テトラヒドロ-3H-2,4,5-トリオキサ-1H-シクロペンタ[cd]インデン-4aα-カルボン酸メチル
  • メチル (1S,3R,4R,7R,11S)-9-(3-ベンズアミドフェニル)-3-メトキシ-6-オキソ-2,5,10-トリオキサトリシクロ[5.3.1.04,11]ウンデカ-8-エン-1-カルボキシラート
  • methyl (1S,3R,4R,7R,11S)-9-(3-benzamidophenyl)-3-methoxy-6-oxo-2,5,10-trioxatricyclo[5.3.1.04,11]undec-8-ene-1-carboxylate
Other name (1)：
  • 6-[3-(Benzoylamino)phenyl]-1-oxo-3α-methoxy-2aα,4a,7aα,7bα-tetrahydro-3H-2,4,5-trioxa-1H-cyclopenta[cd]indene-4aα-carboxylic acid methyl ester
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