204270-53-1 ((Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3a,4b,17b)-)

CAS号:
204270-53-1
英文名称:
Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3a,4b,17b)-
分子式:
C21H29ClO4
分子量:
380.905565977097

Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3a,4b,17b)-(204270-53-1)名称与标识符

名称

英文别名:
Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3a,4b,17b)-;Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3α,4β,17β)- (9CI);

标识符

InChIKey:
KGFQTHYVPSIDEW-VODWBBQPSA-N
Inchi:
1S/C21H29ClO4/c1-11(23)26-17-5-4-12-18-13(6-8-21(12,17)3)20(2)9-7-15(24)19(22)14(20)10-16(18)25/h10,12-13,15,17-19,24H,4-9H2,1-3H3/t12-,13-,15+,17-,18-,19+,20+,21-/m0/s1
SMILES:
[C@H]1(O)[C@H](Cl)C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(C)=O)CC3)C(=O)C=2

Androst-5-en-7-one, 17-(acetyloxy)-4-chloro-3-hydroxy-, (3a,4b,17b)-(204270-53-1)物化性质

实验特性

  • 沸点 : 513.0±50.0 °C(Predicted)
  • 酸度系数(pKa) : 13.63±0.70(Predicted)
  • 密度 : 1.24±0.1 g/cm3(Predicted)