10538-55-3 (甲基3,7-二羟基胆烷-24-酸酯,Ursodeoxycholic Acid Methyl Ester)

甲基3,7-二羟基胆烷-24-酸酯(10538-55-3)名称与标识符

名称

中文别名:
熊去氧胆酸甲酯;Fmoc-4,5-脱氢-D-亮氨酸;甲基3,7-二羟基胆烷-24-酸酯;熊去氧胆酸EP杂质G;
英文别名:
Ursodeoxycholic Acid Methyl Ester;Deoxyursocholic acid methyl ester;methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;Ursodeoxycholic Acid;URSODEOXYCHOLIC-1-METHYL ESTER;A,7;A-cholanic Acid Methyl Ester;A-cholanoate;A-Dihydroxy-5;Methyl 3;methyl ester of ursodeoxycholic acid;Methyl Ursodeoxycholate;Ursodeoxycholic Acid EP Impurity G;(S)-methyl-4-((3S,5S,7S,8R,9R,10S,13R,14R,17S)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate;

标识符

MDL:
MFCD00271365
InChIKey:
GRQROVWZGGDYSW-ZQMFMVRBSA-N
Inchi:
1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-/m1/s1
SMILES:
O[C@H]1C[C@@H]2C[C@@H](CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)OC)CC[C@H]3[C@@H]21)O

甲基3,7-二羟基胆烷-24-酸酯(10538-55-3)物化性质

实验特性

  • LogP : 4.56630
  • PSA : 66.76000
  • 熔点 : 142-143°C

计算特性

  • 精确分子量 : 406.30800