2352-19-4 (6-脱氢甾酮乙酸酯,6-Dehydrotestosterone Acetate)

6-脱氢甾酮乙酸酯(2352-19-4)名称与标识符

名称

英文别名:
Androsta-4,6-dien-3-one,17-(acetyloxy)-, (17b)-;4,6-ANDROSTADIEN-17B-OL-3-ONE(6-DEHYDROTESTOSTERONE);17b-Acetoxyandrosta-4,6-dien-3-one;17b-Acetoxyandrosta-4,6-diene-3-one;3-Oxoandrosta-4,6-dien-17b-yl acetate;6-Dehydrotestosterone acetate;Androsta-4,6-dien-17b-ol-3-one acetate;Androsta-4,6-dien-3-one,17b-hydroxy-, acetate (6CI,7CI,8CI);6,7-didehydrotestosterone;(1S,3aS,3bR,9aR,9bS,11aS)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one;UNII-4P45K0O2LX;ANDROSTA-4,6-DIEN-3-ONE, 17-beta-HYDROXY-;UMDCOKNNLDEKJB-DYKIIFRCSA-N;LMST02020082;(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one;17-beta-Hydroxyandrosta-4,6-dien-3-one;6-Dehydrotestosterone;A903335;2352-19-4;NSC 75560;17?-Hydroxyandrosta-4,6-dien-3-one (?6-Testosterone);?6-Testosterone (1.0mg/ml in Acetonitrile);Androsta-4,6-dien-3-one, 17-hydroxy-, (17beta)-;?6-Testosterone;.DELTA.6-TESTOSTERONE;Androsta-4,6-dien-3-one, 17-hydroxy-, (17.beta.)-;EINECS 219-623-6;17beta-hydroxyandrosta-4,6-dien-3-one;NS00046283;(17-beta)-17-Hydroxyandrosta-4,6-dien-3-one;TESTOSTERONE IMPURITY I [EP IMPURITY];Androsta-4, 17-hydroxy-, (17.beta.)-;17-hydroxy-4,6-androstadiene-3-one;Androsta-4,6-dien-17-beta-ol-3-one;SCHEMBL3364701;(17beta)-Hydroxyandrosta-4,6-dien-3-one;CHEBI:29117;2484-30-2;17-Hydroxyandrosta-4,6-dien-3-one #;NSC-75560;17beta-Hydroxyandrosta-4,6-dien-3-one (?6-Testosterone);Androsta-4,6-dien-3-one, 17-hydroxy-, (17-beta)-;DTXSID801043247;(17beta)-17-Hydroxyandrosta-4,6-dien-3-one;delta(sup 6)-Testosterone;(8R, 9S, 10R, 13S, 14S, 17S)-17-hydroxy-10, 13-dimethyl-1, 2, 8, 9, 11, 12, 14, 15, 16, 17-decahydrocyclopenta[a]phenanthren-3-one;17b-hydroxy-4,6-androstadiene-3-one;NSC75560;6,7-Dehydrotestosterone;4P45K0O2LX;Q27109951;4,6-Androstadien-17.beta.-ol-3-one;Delta(6)-testosterone;

标识符

InChIKey:
UMDCOKNNLDEKJB-DYKIIFRCSA-N
Inchi:
1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,14-17,21H,5-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES:
O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

6-脱氢甾酮乙酸酯(2352-19-4)物化性质

实验特性

  • LogP : 3.65520
  • PSA : 37.30000
  • 沸点 : 450.4±45.0 °C at 760 mmHg
  • 熔点 : NA
  • 蒸气压 : 0.0±2.5 mmHg at 25°C
  • 闪点 : 191.9±21.3 °C
  • 密度 : 1.1±0.1 g/cm3

计算特性

  • 精确分子量 : 286.193280068g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 0
  • 同位素质量 : 286.193280068g/mol
  • 重原子数量 : 21
  • 复杂度 : 546
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 6
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.2
  • 拓扑分子极性表面积 : 37.3Ų

6-脱氢甾酮乙酸酯(2352-19-4)相关文献

6-脱氢甾酮乙酸酯(2352-19-4)参考资料

Reaxys RN:
PubChem CID: