Hydroxypinacolone视黄结构式

中文名称:Hydroxypinacolone视黄
英文名称:Retinoic Acid 3,3-Dimethyl-2-oxobutyl Ester
CAS No.:893412-73-2
分子式:C26H38O3 分子量:398.57812833786
Hydroxypinacolone视黄 数据
Mol:
  0  0  0  0
   12.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 12 17  2  0
  9 18  2  0
  7 19  1  0
  3 20  1  0
  1 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 21 28  2  0
M  END                                
  如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
Hydroxypinacolone视黄 Smile 编码:
C(/C1=C(C)CCCC1(C)C)=C\C(\C)=C\C=C\C(\C)=C\C(=O)OCC(=O)C(C)(C)C
Hydroxypinacolone视黄 InChi 编码:
1S/C26H38O3/c1-19(14-15-22-21(3)13-10-16-26(22,7)8)11-9-12-20(2)17-24(28)29-18-23(27)25(4,5)6/h9,11-12,14-15,17H,10,13,16,18H2,1-8H3/b12-9+,15-14+,19-11+,20-17+
Hydroxypinacolone视黄 InChiKey 编码:
XLPLFRLIWKRQFT-XUJYDZMUSA-N