NND-2292202结构式

中文名称：NND-2292202

英文名称：NND-2292202

CAS No.：151945-43-6
分子式：C₅₁H₇₇NO₁₂ 分子量：896.16

NND-2292202 数据

Mol:

 0  0
   18.3512   -3.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9981   -2.7925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5593   -3.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2016   -3.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0532   -5.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9298   -5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9275   -6.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8653   -7.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0325   -8.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0481   -7.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -4.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0555   -5.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -4.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1729   -3.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0371   -2.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8821   -4.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -5.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8494   -5.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2788   -8.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0848   -2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -1.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6964   -3.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 52  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 44  2  0  0  0  0
  6 45  2  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 43  2  0  0  0  0
 11 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 11  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 19 20  1  0  0  0  0
 20 35  2  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 23 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 27 29  2  0  0  0  0
 28 27  1  0  0  0  0
 30 25  1  0  0  0  0
 31 32  1  0  0  0  0
 32 22  1  0  0  0  0
 33 34  1  0  0  0  0
 33 20  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 17  1  0  0  0  0
 40 15  1  0  0  0  0
 42 11  1  0  0  0  0
 43  7  1  0  0  0  0
 45  4  1  0  0  0  0
 46  4  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 51 52  1  0  0  0  0
 52 49  1  0  0  0  0
 53 54  1  0  0  0  0
 53 28  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 57 28  1  0  0  0  0
 57 56  1  0  0  0  0
 58 53  1  0  0  0  0
 58 26  1  0  0  0  0
 59 58  2  0  0  0  0
 60 13  1  0  0  0  0
 61 51  1  0  0  0  0
 63 24  2  0  0  0  0
 27 64  1  0     0  0
 64 26  1  0     0  0
 64 24  1  0     0  0
 64 23  1  0     0  0
M  END

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NND-2292202 Smile 编码:

C1C(C(O)CCC1CC(C)/C=C/C(=O)C(/C=C(/C(O)C(C(=O)C(CC(/C=C/C=C/C=C(/C(OC)CC1CCC(C)C(C2(O1)OC(=O)C1N(CCCC1)C2=O)=O)\C)C)C)OC)\C)C)OC

NND-2292202 InChi 编码:

1S/C51H77NO12/c1-31(26-36(6)45(55)47(62-10)46(56)37(7)28-35(5)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)61-9)16-12-11-13-17-33(3)43(60-8)30-39-22-20-34(4)48(57)51(63-39)50(59)52-25-15-14-18-40(52)49(58)64-51/h11-13,16-17,19,23,28,31-32,34-36,38-40,42-44,46-47,54,56H,14-15,18,20-22,24-27,29-30H2,1-10H3/b13-11+,16-12+,23-19+,33-17+,37-28+

NND-2292202 InChiKey 编码:

JHAUJRJLNJIMGW-GIPWHSHTSA-N

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