
 AC1MHXH5

 92104  0  0  0  0  0  0  0  0999 V2000
   -0.2443   -4.4874    4.1152 C   0  0  0  0  0
   -0.4987   -4.4114    2.6365 C   0  0  0  0  0
    0.3019   -3.3217    3.3213 C   0  0  0  0  0
    1.8129   -3.0951    3.1908 C   0  0  0  0  0
    2.0609   -1.8392    2.3097 C   0  0  0  0  0
    3.4432   -1.2575    2.4045 C   0  0  0  0  0
    4.5632   -1.9318    1.9534 C   0  0  0  0  0
    5.8369   -1.3252    2.0099 C   0  0  0  0  0
    6.0365   -0.0816    2.5625 C   0  0  0  0  0
    4.9305    0.6060    3.0362 C   0  0  0  0  0
    3.6465    0.0301    2.9438 C   0  0  0  0  0
    7.2735    0.4736    2.6413 O   0  0  0  0  0
    6.8438   -2.1089    1.4481 O   0  0  0  0  0
    6.0004   -2.9373    0.6340 C   0  0  0  0  0
    4.7731   -3.3454    1.4860 C   0  0  0  0  0
    5.0613   -4.1474    2.7860 C   0  0  0  0  0
    3.7644   -4.6039    3.4834 C   0  0  0  0  0
    2.4996   -4.3396    2.7961 N   0  0  0  0  0
    2.5305   -4.6044    1.3581 C   0  0  0  0  0
    3.8214   -4.2041    0.6065 C   0  0  0  0  0
    4.5566   -5.5387    0.1733 C   0  0  0  0  0
    5.9787   -5.2904   -0.2509 C   0  0  0  0  0
    6.6544   -4.1107    0.0145 C   0  0  0  0  0
    7.8137   -4.0861   -0.7169 N   0  0  0  0  0
    7.8243   -5.2078   -1.5087 C   0  0  0  0  0
    6.7928   -6.0477   -1.1140 C   0  0  0  0  0
    6.5190   -7.3621   -1.7762 C   0  0  0  0  0
    7.6590   -7.6894   -2.7731 C   0  0  0  0  0
    7.4442   -9.0051   -3.5545 C   0  0  0  0  0
    7.0764   -8.8087   -4.9515 N   0  0  0  0  0
    8.1099   -8.0577   -5.6786 C   0  0  0  0  0
    8.8640   -6.9810   -4.8591 C   0  0  0  0  0
    7.9794   -6.4621   -3.7157 C   0  0  0  0  0
    8.6379   -5.3643   -2.7969 C   0  0  0  0  0
    8.5261   -4.1017   -3.4656 O   0  0  0  0  0
    7.3375   -4.2264   -4.1556 C   0  0  0  0  0
    6.6368   -3.1207   -4.6071 C   0  0  0  0  0
    5.4754   -3.3298   -5.3238 C   0  0  0  0  0
    5.0806   -4.6424   -5.6105 C   0  0  0  0  0
    5.8039   -5.7833   -5.1635 C   0  0  0  0  0
    6.9253   -5.5603   -4.3615 C   0  0  0  0  0
    5.3399   -7.0911   -5.7687 C   0  0  0  0  0
    5.6661   -8.4094   -5.0640 C   0  0  0  0  0
    4.9777   -9.6405   -5.6508 C   0  0  0  0  0
    4.4154   -9.7237   -7.0495 C   0  0  0  0  0
    3.4815   -9.6785   -5.8705 C   0  0  0  0  0
    7.0866   -1.8662   -4.3287 O   0  0  0  0  0
    8.8645   -7.9946   -1.9937 O   0  0  0  0  0
    3.4311   -3.4870   -0.5825 O   0  0  0  0  0
   -1.0793   -4.3035    4.7807 H   0  0  0  0  0
    0.4459   -5.2454    4.4678 H   0  0  0  0  0
   -1.4994   -4.1620    2.3010 H   0  0  0  0  0
   -0.0192   -5.1644    2.0260 H   0  0  0  0  0
   -0.2130   -2.3788    3.4911 H   0  0  0  0  0
    2.1223   -2.8317    4.2118 H   0  0  0  0  0
    1.3465   -1.0595    2.6083 H   0  0  0  0  0
    1.8187   -2.0227    1.2564 H   0  0  0  0  0
    5.0528    1.5939    3.4715 H   0  0  0  0  0
    2.7987    0.6055    3.3128 H   0  0  0  0  0
    7.8872   -0.1929    2.2787 H   0  0  0  0  0
    5.6928   -2.3122   -0.2271 H   0  0  0  0  0
    5.6606   -3.5771    3.5087 H   0  0  0  0  0
    5.6682   -5.0345    2.5698 H   0  0  0  0  0
    3.7457   -4.2129    4.5086 H   0  0  0  0  0
    3.8334   -5.6917    3.6191 H   0  0  0  0  0
    2.3683   -5.6849    1.2448 H   0  0  0  0  0
    1.6583   -4.1724    0.8526 H   0  0  0  0  0
    4.0114   -5.9902   -0.6653 H   0  0  0  0  0
    4.5718   -6.2694    0.9906 H   0  0  0  0  0
    8.4013   -3.2716   -0.8582 H   0  0  0  0  0
    6.4624   -8.1365   -1.0013 H   0  0  0  0  0
    5.5479   -7.3066   -2.2738 H   0  0  0  0  0
    6.7157   -9.6460   -3.0394 H   0  0  0  0  0
    8.3641   -9.6080   -3.5447 H   0  0  0  0  0
    7.7316   -7.6323   -6.6133 H   0  0  0  0  0
    8.8616   -8.7844   -6.0152 H   0  0  0  0  0
    9.1920   -6.1770   -5.5305 H   0  0  0  0  0
    9.7794   -7.4231   -4.4446 H   0  0  0  0  0
    9.6895   -5.5693   -2.5693 H   0  0  0  0  0
    4.8823   -2.5019   -5.6982 H   0  0  0  0  0
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    4.2453   -7.0263   -5.8308 H   0  0  0  0  0
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    5.2168   -8.3247   -4.0687 H   0  0  0  0  0
    5.3919  -10.5566   -5.2323 H   0  0  0  0  0
    4.4546   -8.8621   -7.7023 H   0  0  0  0  0
    4.5243  -10.6680   -7.5729 H   0  0  0  0  0
    2.9579  -10.5903   -5.6015 H   0  0  0  0  0
    2.8911   -8.7839   -5.7174 H   0  0  0  0  0
    6.5017   -1.2209   -4.7564 H   0  0  0  0  0
    8.8024   -7.5467   -1.1299 H   0  0  0  0  0
    4.1312   -3.5995   -1.2529 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 50  1  0  0  0
  1 51  1  0  0  0
  2  3  1  0  0  0
  2 52  1  0  0  0
  2 53  1  0  0  0
  3  4  1  0  0  0
  3 54  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  4 55  1  0  0  0
  5  6  1  0  0  0
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  5 57  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 15  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
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  9 12  1  0  0  0
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 34 35  1  0  0  0
 34 79  1  0  0  0
 35 36  1  0  0  0
 36 37  2  0  0  0
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 37 38  1  0  0  0
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 48 91  1  0  0  0
 49 92  1  0  0  0
M  END

>  <Chemical Name>
AC1MHXH5

>  <PubChem CID>
3034416

>  <Formula>
C40H43N3O6

>  <Molecular Weight>
661.799000

>  <IUPAC Name>


>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CC1C2CC3=C4C(=C(C=C3)O)OC5C46CCN2CC6(CC7=C5NC8=C7CC9(CN1CCC92C8OC3=C(C=CC(=C23)CC1C1CC1)O)O)O

>  <Isomeric SMILES>
C1CC1C2CC3=C4C(=C(C=C3)O)OC5C46CCN2CC6(CC7=C5NC8=C7CC9(CN1CCC92C8OC3=C(C=CC(=C23)CC1C1CC1)O)O)O

>  <InChI Std. ID>
InChI=1S/C40H43N3O6/c44-27-7-5-21-13-25(19-1-2-19)42-11-9-39-29(21)33(27)48-35(39)31-23(15-37(39,46)17-42)24-16-38(47)18-43-12-10-40(38)30-22(14-26(43)20-3-4-20)6-8-28(45)34(30)49-36(40)32(24)41-31/h5-8,19-20,25-26,35-36,41,44-47H,1-4,9-18H2

>  <InChI Key>
GYEXSFKLGQBRBJ-UHFFFAOYSA-N

