
 N-ethyl,N-methyl EM-A

121123  0  0  0  0  0  0  0  0999 V2000
    0.1399    1.4102    2.0691 C   0  0  0  0  0
    0.9875    0.8165    0.9578 C   0  0  0  0  0
    2.4547    1.2850    0.8572 C   0  0  0  0  0
    3.3120    1.2937    2.1758 C   0  0  0  0  0
    3.3627   -0.0228    3.0296 C   0  0  0  0  0
    3.9432   -1.3543    2.4896 C   0  0  0  0  0
    2.8263   -2.2414    1.9203 C   0  0  0  0  0
    1.6459   -2.0619    2.2533 O   0  0  0  0  0
    3.1180   -3.4344    1.0255 C   0  0  0  0  0
    3.2861   -2.9535   -0.4338 C   0  0  0  0  0
    3.6479   -4.0045   -1.5049 C   0  0  0  0  0
    3.7687   -3.4114   -2.9860 C   0  0  0  0  0
    4.3731   -1.9375   -3.1672 C   0  0  0  0  0
    3.3587   -0.7466   -2.9076 C   0  0  0  0  0
    3.8923    0.6924   -2.5580 C   0  0  0  0  0
    3.7434    1.2779   -1.1542 C   0  0  0  0  0
    4.1627    2.4055   -0.8977 O   0  0  0  0  0
    3.0310    0.5327   -0.2634 O   0  0  0  0  0
    5.2629    1.0742   -3.1216 C   0  0  0  0  0
    2.5892   -0.4381   -4.1012 O   0  0  0  0  0
    1.7807   -1.3728   -4.7879 C   0  0  0  0  0
    0.6572   -2.0012   -3.9670 C   0  0  0  0  0
   -0.4796   -1.0378   -3.6009 C   0  0  0  0  0
   -0.9225   -0.2609   -4.8636 C   0  0  0  0  0
    0.2849    0.3025   -5.6361 C   0  0  0  0  0
    1.2320   -0.7322   -5.9456 O   0  0  0  0  0
   -0.1399    0.9517   -6.9505 C   0  0  0  0  0
   -1.6735   -1.1594   -5.7035 O   0  0  0  0  0
   -0.0826   -0.0570   -2.4910 C   0  0  0  0  0
   -1.6581   -1.7665   -3.1555 O   0  0  0  0  0
   -1.4466   -2.7855   -2.1849 C   0  0  0  0  0
    5.7399   -1.8341   -2.4717 C   0  0  0  0  0
    4.5910   -4.2226   -3.8742 O   0  0  0  0  0
    4.3445   -5.6182   -4.0447 C   0  0  0  0  0
    3.0158   -6.0756   -4.7206 C   0  0  0  0  0
    3.0378   -6.0179   -6.2702 C   0  0  0  0  0
    4.3899   -6.5369   -6.8035 C   0  0  0  0  0
    5.5677   -5.9007   -6.0718 C   0  0  0  0  0
    5.4798   -6.2097   -4.6834 O   0  0  0  0  0
    6.8850   -6.4892   -6.5670 C   0  0  0  0  0
    1.9125   -6.7146   -6.9784 N   0  0  0  0  0
    1.8572   -8.1649   -6.7581 C   0  0  0  0  0
    0.5652   -6.1487   -6.7934 C   0  0  0  0  0
    0.4088   -4.6855   -7.1803 C   0  0  0  0  0
    1.8878   -5.3629   -4.2013 O   0  0  0  0  0
    2.5615   -5.1008   -1.4056 C   0  0  0  0  0
    4.9036   -4.5724   -1.1199 O   0  0  0  0  0
    4.1707   -4.3659    1.6214 C   0  0  0  0  0
    5.1996   -1.1684    1.6519 C   0  0  0  0  0
    4.0632    0.2983    4.2673 O   0  0  0  0  0
    4.6970    1.9250    1.9362 C   0  0  0  0  0
    2.6899    2.2699    3.0682 O   0  0  0  0  0
   -0.9075    1.1194    1.9339 H   0  0  0  0  0
    0.1837    2.5039    2.0591 H   0  0  0  0  0
    0.4457    1.0502    3.0543 H   0  0  0  0  0
    0.5031    1.0836    0.0105 H   0  0  0  0  0
    0.9294   -0.2716    0.9853 H   0  0  0  0  0
    2.3579    2.3390    0.5544 H   0  0  0  0  0
    2.3451   -0.1981    3.3927 H   0  0  0  0  0
    4.2761   -1.9283    3.3685 H   0  0  0  0  0
    2.1818   -4.0102    1.0595 H   0  0  0  0  0
    2.3386   -2.4768   -0.7144 H   0  0  0  0  0
    4.0384   -2.1728   -0.4412 H   0  0  0  0  0
    2.7793   -3.3958   -3.4196 H   0  0  0  0  0
    4.6131   -1.8718   -4.2395 H   0  0  0  0  0
    2.6374   -1.0347   -2.1485 H   0  0  0  0  0
    3.2051    1.3707   -3.0960 H   0  0  0  0  0
    6.0708    0.8152   -2.4306 H   0  0  0  0  0
    5.3296    2.1609   -3.2555 H   0  0  0  0  0
    5.4441    0.6233   -4.1013 H   0  0  0  0  0
    2.4305   -2.1583   -5.1833 H   0  0  0  0  0
    1.0431   -2.4464   -3.0479 H   0  0  0  0  0
    0.2311   -2.8244   -4.5552 H   0  0  0  0  0
   -1.6132    0.5467   -4.5931 H   0  0  0  0  0
    0.7899    1.0713   -5.0393 H   0  0  0  0  0
   -0.5857    0.2219   -7.6351 H   0  0  0  0  0
    0.7315    1.3701   -7.4659 H   0  0  0  0  0
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   -0.9890   -3.6638   -2.6505 H   0  0  0  0  0
    5.6776   -1.3965   -1.4747 H   0  0  0  0  0
    6.4278   -1.2264   -3.0664 H   0  0  0  0  0
    6.2423   -2.8009   -2.3910 H   0  0  0  0  0
    4.3825   -6.0766   -3.0593 H   0  0  0  0  0
    2.8998   -7.1263   -4.4273 H   0  0  0  0  0
    2.9934   -4.9605   -6.5585 H   0  0  0  0  0
    4.4629   -7.6195   -6.6511 H   0  0  0  0  0
    4.4662   -6.3489   -7.8815 H   0  0  0  0  0
    5.5843   -4.8135   -6.2147 H   0  0  0  0  0
    6.9153   -7.5735   -6.4063 H   0  0  0  0  0
    7.7263   -6.0705   -6.0039 H   0  0  0  0  0
    7.0389   -6.2892   -7.6315 H   0  0  0  0  0
    2.7585   -8.6705   -7.1152 H   0  0  0  0  0
    1.0378   -8.6150   -7.3313 H   0  0  0  0  0
    1.7003   -8.4246   -5.7064 H   0  0  0  0  0
    0.1978   -6.3051   -5.7760 H   0  0  0  0  0
   -0.1324   -6.7055   -7.4340 H   0  0  0  0  0
    1.0286   -4.0229   -6.5723 H   0  0  0  0  0
   -0.6327   -4.3793   -7.0340 H   0  0  0  0  0
    0.6565   -4.5336   -8.2356 H   0  0  0  0  0
    1.1726   -6.0134   -4.1012 H   0  0  0  0  0
    1.5776   -4.7016   -1.6756 H   0  0  0  0  0
    2.4836   -5.5183   -0.3990 H   0  0  0  0  0
    2.7570   -5.9847   -2.0044 H   0  0  0  0  0
    5.4483   -4.6846   -1.9228 H   0  0  0  0  0
    5.1915   -4.0669    1.3852 H   0  0  0  0  0
    4.0432   -5.3868    1.2483 H   0  0  0  0  0
    4.0802   -4.4131    2.7119 H   0  0  0  0  0
    4.9945   -0.6640    0.7099 H   0  0  0  0  0
    5.6822   -2.1110    1.3991 H   0  0  0  0  0
    5.9510   -0.5891    2.1984 H   0  0  0  0  0
    5.0208    0.2231    4.1117 H   0  0  0  0  0
    5.3001    1.3991    1.1978 H   0  0  0  0  0
    5.2793    1.9954    2.8608 H   0  0  0  0  0
    4.5854    2.9621    1.5958 H   0  0  0  0  0
    3.0288    2.0642    3.9646 H   0  0  0  0  0
  1  2  1  0  0  0
  1 53  1  0  0  0
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M  END

>  <Chemical Name>
N-ethyl,N-methyl EM-A

>  <PubChem CID>
14487390

>  <Formula>
C38H69NO13

>  <Molecular Weight>
747.964000

>  <IUPAC Name>
14-ethyl-6-[4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

>  <XlogP>
3.100

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC)O)(C)O)C)C)O)(C)O

>  <Isomeric SMILES>
CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC)O)(C)O)C)C)O)(C)O

>  <InChI Std. ID>
InChI=1S/C38H69NO13/c1-14-26-38(11,46)31(42)21(5)28(40)19(3)17-36(9,45)33(52-35-29(41)25(39(12)15-2)16-20(4)48-35)22(6)30(23(7)34(44)50-26)51-27-18-37(10,47-13)32(43)24(8)49-27/h19-27,29-33,35,41-43,45-46H,14-18H2,1-13H3

>  <InChI Key>
DYYAPFZVDGCKCL-UHFFFAOYSA-N

