丁酸倍氯他松杂质 6结构式

丁酸倍氯他松杂质 6
中文名称:丁酸倍氯他松杂质 6
英文名称:16α-Methyl Clobetasone Butyrate
CAS No.:25120-98-3
分子式:C26H32ClFO5 分子量:478.98
丁酸倍氯他松杂质 6 数据
Mol:
  0  0  0
    4.6204   -2.6894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230   -1.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524   -2.2322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1618   -1.2586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3268   -1.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8352   -0.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4826   -0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6531   -0.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399   -2.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4837   -4.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2456   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6858   -4.1952    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  8  2  0  0  0  0
  8 25  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  1  0  0  0
  9 25  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 12  1  0  0  0  0
 15  9  1  0  0  0  0
 15 27  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17  9  1  0  0  0  0
 17 33  1  6  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  1  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  2  0  0  0  0
 23  5  1  0  0  0  0
 23 35  1  6  0  0  0
 26 15  1  0  0  0  0
 26 16  1  0  0  0  0
 26 34  1  6  0  0  0
 27 28  1  0  0  0  0
 28 32  2  0  0  0  0
 29 28  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
M  END                                
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丁酸倍氯他松杂质 6 Smile 编码:
O=C1C=C2[C@]([C@]3(F)[C@@]([H])(CC2)[C@@]2([H])[C@@]([C@@]([C@H](C)C2)(OC(CCC)=O)C(CCl)=O)(CC3=O)C)(C)C=C1
丁酸倍氯他松杂质 6 InChi 编码:
1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18+,19+,23+,24+,25+,26+/m1/s1
丁酸倍氯他松杂质 6 InChiKey 编码:
FBRAWBYQGRLCEK-WAQYWSKUSA-N