乙酰沙蟾毒精结构式

乙酰沙蟾毒精
中文名称:乙酰沙蟾毒精
英文名称:Acetylarenobufagin
CAS No.:184673-79-8
分子式:C26H34O7 分子量:458.54
乙酰沙蟾毒精 数据
Mol:
0  0  0  0  0  0  0  0
    8.7469   -5.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751   -5.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281   -6.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1054   -6.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1103   -7.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2356   -7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1629   -5.2125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9760   -6.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801   -7.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747   -7.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2273   -6.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5291   -3.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  0  0  0  0
 10 11  1  0  0  0  0
 10  8  1  0  0  0  0
 10 35  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  1  0  0  0
 14 12  1  0  0  0  0
 16 17  1  1  0  0  0
 16 24  1  0  0  0  0
 16 14  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 17  1  0  0  0  0
 20 21  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 26 14  1  0  0  0  0
 28 29  1  0  0  0  0
 28 10  1  0  0  0  0
 28 31  1  1  0  0  0
 29 30  1  0  0  0  0
 30  1  1  0  0  0  0
 32 33  2  0  0  0  0
 33  5  1  0  0  0  0
 33 34  1  0  0  0  0
 11 36  1  6     0  0
M  END                                
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乙酰沙蟾毒精 Smile 编码:
[C@@]12(CC[C@]3([H])[C@@]([H])([C@]1(CC[C@H](OC(C)=O)C2)C)[C@H](O)C([C@]1([C@]3(O)CC[C@@H]1C1C=CC(OC=1)=O)C)=O)[H]
乙酰沙蟾毒精 InChi 编码:
1S/C26H34O7/c1-14(27)33-17-8-10-24(2)16(12-17)5-6-19-21(24)22(29)23(30)25(3)18(9-11-26(19,25)31)15-4-7-20(28)32-13-15/h4,7,13,16-19,21-22,29,31H,5-6,8-12H2,1-3H3/t16-,17+,18-,19-,21-,22+,24+,25+,26+/m1/s1
乙酰沙蟾毒精 InChiKey 编码:
QXXMSIJXDTVQBY-VDFARBNLSA-N