2490287-87-9 ((Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7β,17β)-)

CAS号:
2490287-87-9
英文名称:
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7β,17β)-
分子式:
C29H43BrO3
分子量:
519.553928613663

Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7β,17β)-(2490287-87-9)名称与标识符

名称

英文别名:
Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7β,17β)-;Fulvestrant isomer impurityQ: What is Fulvestrant isomer impurity Q: What is the CAS Number of Fulvestrant isomer impurity;

标识符

InChIKey:
KFPTYJLFIUUHEJ-NUCJQBLBSA-N
Inchi:
1S/C29H43BrO3/c1-20(31)33-27-14-13-26-28-21(10-8-6-4-3-5-7-9-17-30)18-22-19-23(32)11-12-24(22)25(28)15-16-29(26,27)2/h11-12,19,21,25-28,32H,3-10,13-18H2,1-2H3/t21-,25+,26-,27-,28+,29-/m0/s1
SMILES:
C([C@H]1CC2=CC(O)=CC=C2[C@@]2([H])CC[C@@]3([C@@H](OC(=O)C)CC[C@@]3([H])[C@]12[H])C)CCCCCCCCBr

Estra-1,3,5(10)-triene-3,17-diol, 7-(9-bromononyl)-, 17-acetate, (7β,17β)-(2490287-87-9)物化性质

实验特性

  • 沸点 : 593.3±50.0 °C(Predicted)
  • 酸度系数(pKa) : 10.26±0.70(Predicted)
  • 密度 : 1.22±0.1 g/cm3(Predicted)