3818-24-4 (7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one,7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3h-chrysen-2-one)

CAS号:
3818-24-4
中文名称:
7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one
英文名称:
7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3h-chrysen-2-one
分子式:
C20H30O2
分子量:
302.451006412506

7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one(3818-24-4)名称与标识符

名称

中文别名:
7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one;
英文别名:
7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3h-chrysen-2-one;(4aR,4bS,6aS,7S,10aS,10bR)-7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one;NCIOpen2_007853;AC1L97OF;NSC58850;AGN-PC-00IOCF;D-Homotestosterone;(4aR,4bS,6aS,7S,10aS,10bR)-7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one; NCIOpen2_007853; AC1L97OF; NSC58850; AGN-PC-00IOCF; D-Homotestosterone;;2(3H)-Chrysenone, 4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-7-hydroxy-4a,6a-dimethyl-, (4ar-(4aalpha,4bbeta,6aalpha,7alpha,10abeta,10balpha))-;2(3H)-CHRYSENONE, 4,4A,4B,5,6,6A,7,8,9,10,10A,10B,11,12-TETRADECAHYDRO-7-HYDROXY-4A,6A-DIMETHYL-, (4AR-(4A.ALPHA.,4B.BETA.,6A.ALPHA.,7.ALPHA.,10A.BETA.,10B.ALPHA.))-;NSC-58850;1X7AW8BV0P;17abeta-Hydroxy-D-homoandrost-4-en-3-one;D-HOMOANDROST-4-EN-3-ONE, 17A-HYDROXY-, (17A.BETA.)-;D-Homoandrost-4-en-3-one, 17a-hydroxy-, (17abeta)-;Q27148957;3818-24-4;2(3H)-Chrysenone, 4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-7-hydroxy-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,10aS,10bR)-;UNII-1X7AW8BV0P;Homotestosterone, D-;CHEBI:79820;SCHEMBL26570105;

标识符

InChIKey:
FFZVTLPCFSOGJI-RABCQHRBSA-N
Inchi:
1S/C20H30O2/c1-19-10-8-14(21)12-13(19)6-7-15-16-4-3-5-18(22)20(16,2)11-9-17(15)19/h12,15-18,22H,3-11H2,1-2H3/t15-,16-,17-,18-,19-,20-/m0/s1
SMILES:
O[C@H]1CCC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(C=C3CC[C@@H]21)=O

7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one(3818-24-4)物化性质

实验特性

  • LogP : 4.26930
  • PSA : 37.3

计算特性

  • 精确分子量 : 302.2247
  • 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 : 302.224580195g/mol
  • 重原子数量 : 22
  • 复杂度 : 522
  • 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) : 3.9
  • 拓扑分子极性表面积 : 37.3Ų

7-hydroxy-4a,6a-dimethyl-4,4b,5,6,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one(3818-24-4)相关文献