903-71-9 ((Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI))

CAS号:
903-71-9
英文名称:
Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI)
分子式:
C22H32O2
分子量:
328.488286972046

Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI)(903-71-9)名称与标识符

名称

英文别名:
Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI);(6S,8S,9S,10R,13S,14S,17S)-17-acetyl-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;6 alpha-methylprogesterone;A-methylprogesterone;6-.alpha.-Methylpregn-3-ene-3,20-dione;SCHEMBL7978305;Pregn-4-ene-3,20-dione, 6-alpha-methyl-;Pregn-4-ene-3,20-dione, 6.alpha.-methyl-;Q27116095;(6-alpha)-6-Methylpregn-4-ene-3,20-dione;6a-methyl-4-pregnene-3 ,20-dione;6-alpha-Methylpregn-3-ene-3,20-dione;DTXSID601294866;Pregn-4-ene-3,20-dione, 6alpha-methyl-;METHYLPROGESTERONE, 6.ALPHA.;6.alpha.-Methylprogesterone;NSC-75530;PREGN-4-ENE-3,20-DIONE,6.ALPHA.-METHYL-;Pregn-4-ene-3, 6-methyl-, (6.alpha.)-;6-Alpha-methyl-progesterone;NSC75530;903-71-9;6-Methylpregn-4-ene-3,20-dione #;Pregn-4-ene-3, 6.alpha.-methyl-;Pregn-4-ene-3,20-dione, 6-methyl-, (6alpha)-;Pregn-4-ene-3,20-dione, 6-methyl-, (6-alpha)-;(6alpha)-6-Methylpregn-4-ene-3,20-dione;Pregn-4-ene-3,20-dione, 6-methyl-, (6.alpha.)-;YKT998Y6UZ;NSC 75530;GNFABWAPJFOZSF-KTORGGLSSA-N;6alpha-Methylpregn-4-ene-3,20-dione;UNII-YKT998Y6UZ;CHEBI:34476;6-alpha-Methylprogesterone;6alpha-Methylprogesterone;

标识符

InChIKey:
GNFABWAPJFOZSF-KTORGGLSSA-N
Inchi:
1S/C22H32O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h12-13,16-19H,5-11H2,1-4H3/t13-,16-,17+,18-,19-,21+,22+/m0/s1
SMILES:
O=C(C)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(CC[C@]4(C)[C@H]3CC[C@@]21C)=O

Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI)(903-71-9)物化性质

实验特性

  • LogP : 4.96950
  • PSA : 34.14000
  • 折射率 : 1.537
  • 沸点 : 453.7°Cat760mmHg
  • 闪点 : 169°C
  • 密度 : 1.07

计算特性

  • 精确分子量 : 328.24000
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 328.24023
  • 重原子数量 : 24
  • 复杂度 : 618
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 7
  • 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) : 4.2
  • 拓扑分子极性表面积 : 34.1

Pregn-4-ene-3,20-dione,6-methyl-, (6a)-(9CI)(903-71-9)相关文献