208038-27-1 (鹅去氧胆酸24-酰基-beta-D-葡糖苷酸,Chenodeoxycholic Acid 24-Acyl-b-D-glucuronide)

CAS号:
208038-27-1
中文名称:
鹅去氧胆酸24-酰基-beta-D-葡糖苷酸
英文名称:
Chenodeoxycholic Acid 24-Acyl-b-D-glucuronide
分子式:
C30H48O10
分子量:
568.696130752563

鹅去氧胆酸24-酰基-beta-D-葡糖苷酸(208038-27-1)名称与标识符

名称

中文别名:
鹅去氧胆酸24酰基β-D-葡糖苷酸;鹅去氧胆酸24-酰基-beta-D-葡糖苷酸;
英文别名:
Chenodeoxycholic Acid 24-Acyl-β-D-glucuronide;(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7R,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]pentanoyl]oxy-3,4,5-trihydr;1-[(3α,5β,7α)-3,7-Dihydroxycholan-24-oate] β-D-Glucopyranuronic Acid;CHENODEOXYCHOLIC ACID 24-ACYL-B-D-GLUCURONIDE;A,5;A,7;A-D-Glucopyranuronic Acid;A-D-glucuronide;Chenodeoxycholic Acid 24-Acyl-;

标识符

InChIKey:
ZTJBLIAPAIPNJE-BWGRGVIUSA-N
Inchi:
1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/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)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O4)O)O)O)CC[C@H]3[C@@H]21)O

鹅去氧胆酸24-酰基-beta-D-葡糖苷酸(208038-27-1)物化性质

实验特性

  • LogP : 1.82870
  • PSA : 173.98000

计算特性

  • 精确分子量 : 568.32500

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