359-80-8 ((Pregna-1,4-diene-3,20-dione,9,21-difluoro-11,17-dihydroxy-6-methyl-, (6a,11b)- (9CI))

CAS号:
359-80-8
英文名称:
Pregna-1,4-diene-3,20-dione,9,21-difluoro-11,17-dihydroxy-6-methyl-, (6a,11b)- (9CI)
分子式:
C22H28F2O4
分子量:
394.452134132385

Pregna-1,4-diene-3,20-dione,9,21-difluoro-11,17-dihydroxy-6-methyl-, (6a,11b)- (9CI)(359-80-8)名称与标识符

名称

英文别名:
Pregna-1,4-diene-3,20-dione,9,21-difluoro-11,17-dihydroxy-6-methyl-, (6a,11b)- (9CI);1-[4-(2-methylbutan-2-yl)phenoxy]butan-2-yl prop-2-ynyl sulfite;1-((4-((1,1-Dimethylpropyl)phenoxy)methyl)propyl) 2-propynyl sulfite;1-[4-(2-methylbutan-2-yl)phenoxy]butan-2-yl prop-2-yn-1-yl sulfite;C-912;ENT 27,225;Naugatuck C-912;Sulfurous acid, 1-((4-(1,1-dimethylpropyl)phenoxy)methyl)propyl 2-propynyl ester;Sulfurous acid, 1-((p-tert-pentylphenoxy)methyl)propyl 2-propynyl ester;U.S. Rubber C-912;Uniroyal C-912;

标识符

InChIKey:
HVWBUMMATJTVNI-RKMQMPPHSA-N
Inchi:
1S/C22H28F2O4/c1-12-8-16-14-5-7-21(28,18(27)11-23)20(14,3)10-17(26)22(16,24)19(2)6-4-13(25)9-15(12)19/h4,6,9,12,14,16-17,26,28H,5,7-8,10-11H2,1-3H3/t12-,14-,16-,17-,19-,20-,21-,22?/m0/s1
SMILES:
C1(=O)C=C2[C@](C)(C=C1)C1(F)[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)CF)CC3)C[C@@H]2C

Pregna-1,4-diene-3,20-dione,9,21-difluoro-11,17-dihydroxy-6-methyl-, (6a,11b)- (9CI)(359-80-8)物化性质

实验特性

  • PSA : 74.6

计算特性

  • 精确分子量 : 394.19564