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Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI)结构式

Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI)结构式图片|975-53-1结构式图片 查看975-53-1大图 英文名称:Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI)
CAS No.:975-53-1
分子式: C22H34O2
分子量:330.50416
如需查看该化合物的详细物理属性、别名、危化属性、合成路线等,可点击:975-53-1

Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI) 数据

Mol:

 0
    5.4405    7.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4405   10.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7546   10.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8054   12.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3205   13.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3410   11.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923   11.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5535    9.6878    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  5  8  1  6  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12  4  2  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 17  1  6  0  0  0
 15 18  1  6  0  0  0
 15 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 14 24  1  6  0  0  0
M  END

                
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Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI) Smile 编码: OC1CC2[C@@](CC1)(C)[C@@H]3[C@@H](CC=2C)[C@H]4[C@@](CC3)(C)[C@@H](C(C)=O)CC4

Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI) InChi 编码: InChI=1S/C22H34O2/c1-13-11-16-18-6-5-17(14(2)23)21(18,3)10-8-19(16)22(4)9-7-15(24)12-20(13)22/h15-19,24H,5-12H2,1-4H3/t15?,16-,17+,18-,19-,21+,22+/m0/s1

如果您需要其它格式的数据,比如:Reaction File,JSDraw2 html,CDX,CDXML等格式的文件,您可以使用我们的结构式搜索工具,可以直接进行导出,(详情请点击); 如果您想了解更多关于巯基乙酸的物化性质,请参考我们化工词典中收录的词条:Pregn-5-en-20-one,3-hydroxy-6-methyl-, (3b)- (9CI) 如果您有更其他更特殊的定制数据需求,请直接拨打我们的客服热线:4000 025 960;

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