27651-95-2 ((Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-)

CAS号:
27651-95-2
英文名称:
Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-
分子式:
C18H18O5S
分子量:
346.397524356842

Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-(27651-95-2)名称与标识符

名称

英文别名:
Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-;

标识符

InChIKey:
JKOQYKCAHYAMBW-WMZOPIPTSA-N
Inchi:
1S/C18H18O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h2-5,10,16H,6-9H2,1H3,(H,20,21,22)/t16-,18-/m0/s1
SMILES:
C1(OS(O)(=O)=O)=CC2C(C=C1)=C1C([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)=CC=2

Estra-1,3,5,7,9-pentaen-17-one, 3-(sulfooxy)-(27651-95-2)物化性质

实验特性

  • 酸度系数(pKa) : -4.02±0.18(Predicted)
  • 密度 : 1.432±0.06 g/cm3(Predicted)