Chem
J-GLOBAL ID：200907000382047427   Nikkaji number：J579.617B

(4α)-3,3aα,4,5-Tetrahydro-2-phenyl-5α-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid methyl ester

(4α)-3,3aα,4,5-テトラヒドロ-2-フェニル-5α-(3,4,5-トリメトキシフェニル)-2H-[1,3]ベンゾジオキソロ[5,6-g]インダゾール-4-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： C29H28N2O7
Molecular formula furigana： C29-H28-N2-O7
Molecular weight： 516.549
InChI： InChI=1S/C29H28N2O7/c1-33-23-10-16(11-24(34-2)28(23)35-3)25-18-12-21-22(38-15-37-21)13-19(18)27-20(26(25)29(32)36-4)14-31(30-27)17-8-6-5-7-9-17/h5-13,20,25-26H,14-15H2,1-4H3/t20-,25+,26-/m0/s1
InChI key： GWUURNVOIPNWAW-LZYPDUGYSA-N
SMILES： COC(=O)[C@H]1[C@@H]2CN(N=C2c2cc3OCOc3cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)c1ccccc1
Systematic name  (3)：
  • (4α)-3,3aα,4,5-テトラヒドロ-2-フェニル-5α-(3,4,5-トリメトキシフェニル)-2H-[1,3]ベンゾジオキソロ[5,6-g]インダゾール-4-カルボン酸メチル
  • メチル (6R,7R,8R)-4-フェニル-8-(3,4,5-トリメトキシフェニル)-12,14-ジオキサ-3,4-ジアザテトラシクロ[7.7.0.02,6.011,15]ヘキサデカ-1(16),2,9,11(15)-テトラエン-7-カルボキシラート
  • methyl (6R,7R,8R)-4-phenyl-8-(3,4,5-trimethoxyphenyl)-12,14-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2,9,11(15)-tetraene-7-carboxylate
Other name (1)：
  • (4α)-3,3aα,4,5-Tetrahydro-2-phenyl-5α-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carboxylic acid methyl ester
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