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(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

更新时间:2025-10-17 11:22:43

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式
(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式
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常用名 (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one 英文名 (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
CAS号 138355-94-9 分子量 536.53000
密度 1.363g/cm3 沸点 755.2ºC at 760 mmHg
分子式 C28H28N2O9 熔点 N/A
MSDS N/A 闪点 410.6ºC

 名称

英文名 (3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one

 物理化学性质

密度 1.363g/cm3
沸点 755.2ºC at 760 mmHg
分子式 C28H28N2O9
分子量 536.53000
闪点 410.6ºC
精确质量 536.17900
PSA 141.30000
LogP 5.01890
InChIKey ADFKUAKREZUYMC-QNMIOERPSA-N
SMILES COc1cc2c(cc1OC)C(c1cc(OC)c(O)c(OC)c1)C1C(=O)OCC1C2Nc1ccc([N+](=O)[O-])cc1
蒸汽压 1.32E-23mmHg at 25°C
折射率 1.634

 合成线路

~53%

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式

(3aS,4S,9R,9aR)...

138355-94-9

文献:Zhu, Xiao-Kang; Guan, Jian; Xiao, Zhiyan; Cosentino, L. Mark; Lee, Kuo-Hsiung Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 15 p. 4267 - 4273

~%

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式

(3aS,4S,9R,9aR)...

138355-94-9

文献:Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

~%

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式

(3aS,4S,9R,9aR)...

138355-94-9

文献:Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

~%

(3aS,4S,9R,9aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-4-(4-nitroanilino)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one结构式

(3aS,4S,9R,9aR)...

138355-94-9

文献:Wang; Hu; Chen; Cheng; Lee Journal of Medicinal Chemistry, 1992 , vol. 35, # 5 p. 871 - 877

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