可的松醋酸酯结构式

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中文名称：可的松醋酸酯

英文名称：Cortisone acetate

CAS No.：50-04-4
分子式：C₂₃H₃₀O₆ 分子量：402.4807

可的松醋酸酯数据

Mol:

71    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    3.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793    0.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8010    0.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3599    0.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3601    2.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198    3.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 10  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  6  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 20  1  0  0  0  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。

可的松醋酸酯 Smile 编码:

O([H])[C@]1(C(C([H])([H])OC(C([H])([H])[H])=O)=O)C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])C4=C([H])C(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C(C([H])([H])[C@@]21C([H])([H])[H])=O)=O

可的松醋酸酯 InChi 编码:

1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-17,20,28H,4-9,11-12H2,1-3H3/t16-,17-,20+,21-,22-,23-/m0/s1

可的松醋酸酯 InChiKey 编码:

ITRJWOMZKQRYTA-RFZYENFJSA-N

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