25218-37-5 ((3beta,7alpha-Dihydroxy-24-carboxychol-5-en)

CAS号:
25218-37-5
英文名称:
3beta,7alpha-Dihydroxy-24-carboxychol-5-en
分子式:
C24H38O4
分子量:
390.556128025055

3beta,7alpha-Dihydroxy-24-carboxychol-5-en(25218-37-5)名称与标识符

名称

英文别名:
3beta,7alpha-Dihydroxy-24-carboxychol-5-en;3beta,7alpha-Dihydroxychol-5-en-saeure;3beta,7alpha-Dihydroxychol-5-ensaeure;Chol-5-en-24-oic acid, 3,7-dihydroxy-, (3α,7α)- (9CI);

标识符

InChIKey:
PXHCARRJGFGPAC-ATIOCULMSA-N
Inchi:
1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h13-14,16-20,22,25-26H,4-12H2,1-3H3,(H,27,28)/t14-,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
SMILES:
[C@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)[C@H](O)C=2

3beta,7alpha-Dihydroxy-24-carboxychol-5-en(25218-37-5)物化性质

实验特性

  • 沸点 : 562.8±35.0 °C(Predicted)
  • 酸度系数(pKa) : 4.76±0.10(Predicted)
  • 密度 : 1.16±0.1 g/cm3(Predicted)