2476-74-6 ((6α)-21-乙酰氧基-6-氟代孕甾-1,4,9(11),16-四烯-3,20-二酮,[2-[(6S,8S,10R,13S,14S)-6-Fluoro-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate)

CAS号:
2476-74-6
中文名称:
(6α)-21-乙酰氧基-6-氟代孕甾-1,4,9(11),16-四烯-3,20-二酮
英文名称:
[2-[(6S,8S,10R,13S,14S)-6-Fluoro-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
分子式:
C23H25FO4
分子量:
384.440610647202

(6α)-21-乙酰氧基-6-氟代孕甾-1,4,9(11),16-四烯-3,20-二酮(2476-74-6)名称与标识符

名称

中文别名:
(6alpha)-21-(乙酰氧基)-6-氟孕甾-1,4,9(11),16-四烯-3,20-二酮;(6α)-21-乙酰氧基-6-氟代孕甾-1,4,9(11),16-四烯-3,20-二酮;
英文别名:
Pregna 1,4, 9 ,(11), 16 - Tetraene 3, 20, dione, 6 a- fluoro-21-hydroxy-acetate (7CI, 8CI;(6α)-21-(Acetyloxy)-6-fluoropregna-1,4,9(11),16-tetraene-3,20-dione;6α-fluoro-21-hydroxypregna-1,4,9(11),16-tetraene-3,20-dione 21-acetate;(6;[2-[(6S,8S,10R,13S,14S)-6-Fluoro-10,13-dimethyl-3-oxo-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthr;

标识符

InChIKey:
UHEBHFQTEYMJQV-XDCJFQGASA-N
Inchi:
1S/C23H25FO4/c1-13(25)28-12-21(27)18-5-4-16-15-11-20(24)19-10-14(26)6-8-23(19,3)17(15)7-9-22(16,18)2/h5-8,10,15-16,20H,4,9,11-12H2,1-3H3/t15-,16-,20-,22-,23+/m0/s1
SMILES:
F[C@@H]1C2=CC(C=C[C@]2(C)C2=CC[C@]3(C)C(C(COC(C)=O)=O)=CC[C@H]3[C@@H]2C1)=O

(6α)-21-乙酰氧基-6-氟代孕甾-1,4,9(11),16-四烯-3,20-二酮(2476-74-6)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 4
  • 重原子数量 : 28
  • 复杂度 : 892
  • 拓扑分子极性表面积 : 60.4