763865-71-0 ((Pregn-4-ene-1-sulfonic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-21-(phosphonooxy)-, (11β,16α)- (9CI))

CAS号:
763865-71-0
英文名称:
Pregn-4-ene-1-sulfonic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-21-(phosphonooxy)-, (11β,16α)- (9CI)
分子式:
C22H32FO11PS
分子量:
554.520051002502

Pregn-4-ene-1-sulfonic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-21-(phosphonooxy)-, (11β,16α)- (9CI)(763865-71-0)名称与标识符

名称

英文别名:
Pregn-4-ene-1-sulfonic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-21-(phosphonooxy)-, (11β,16α)- (9CI);DexamethasoneImpurity25TrisodiumSalt;

标识符

InChIKey:
NTHLZRNOWLQBHH-WOMHDEPPSA-N
Inchi:
1S/C22H32FO11PS/c1-11-6-15-14-5-4-12-7-13(24)8-18(36(31,32)33)20(12,3)21(14,23)16(25)9-19(15,2)22(11,27)17(26)10-34-35(28,29)30/h7,11,14-16,18,25,27H,4-6,8-10H2,1-3H3,(H2,28,29,30)(H,31,32,33)/t11-,14+,15+,16+,18?,19+,20-,21+,22+/m1/s1
SMILES:
F[C@]12[C@H](C[C@@]3([C@@](O)(C(=O)COP(O)(O)=O)[C@H](C)C[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC(S(O)(=O)=O)[C@]21C)C)O

Pregn-4-ene-1-sulfonic acid, 9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-21-(phosphonooxy)-, (11β,16α)- (9CI)(763865-71-0)物化性质

实验特性

  • 溶解度 : 甲醇(微溶)、水(微溶)
  • 酸度系数(pKa) : 0.87±0.70(Predicted)
  • 密度 : 1.59±0.1 g/cm3(Predicted)