甲基(8a′)-5-(呋喃-3-基)-2',4a′-二甲基-2-氧代-3',4,4',4a′,5,7',8',8a′-八氢-2'H-螺[呋喃-3,1′-萘]-5′-羧酸酯结构式

甲基(8a′)-5-(呋喃-3-基)-2',4a′-二甲基-2-氧代-3',4,4',4a′,5,7',8',8a′-八氢-2'H-螺[呋喃-3,1′-萘]-5′-羧酸酯
中文名称:甲基(8a′)-5-(呋喃-3-基)-2',4a′-二甲基-2-氧代-3',4,4',4a′,5,7',8',8a′-八氢-2'H-螺[呋喃-3,1′-萘]-5′-羧酸酯
英文名称:methyl (8a'S)-5-(furan-3-yl)-2',4a'-dimethyl-2-oxo-3',4,4',4a',5,7',8',8a'-octahydro-2'H-spiro[furan-3,1'-naphthalene]-5'-carboxylate
CAS No.:79405-82-6
分子式:C21H26O5 分子量:358.4281
甲基(8a′)-5-(呋喃-3-基)-2',4a′-二甲基-2-氧代-3',4,4',4a′,5,7',8',8a′-八氢-2'H-螺[呋喃-3,1′-萘]-5′-羧酸酯 数据
Mol:
3    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039    6.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2775    8.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6998    2.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848    1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4343    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1641    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6784    8.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 19 20  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 14 26  1  0  0  0  0
M  END                                
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甲基(8a′)-5-(呋喃-3-基)-2',4a′-二甲基-2-氧代-3',4,4',4a′,5,7',8',8a′-八氢-2'H-螺[呋喃-3,1′-萘]-5′-羧酸酯 Smile 编码:
COC(C1C2(CCC(C)C3(C(=O)OC(C4C=COC=4)C3)[C@H]2CCC=1)C)=O