 
  ChemDraw03041920032D
 
 30 32  0  0  0  0  0  0  0  0999 V2000
   -3.5724   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  7 19  2  0  0  0  0
 12 20  1  0  0  0  0
 17 21  2  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 13 24  1  0  0  0  0
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 18  1  0  0  0  0
 20 30  1  0  0  0  0
M  ZZC   1 5'''
M  ZZC   2 4'''
M  ZZC   3 3'''
M  ZZC   4 2'''
M  ZZC   5 1'''
M  ZZC   6 6'''
M  ZZC   7 7'''
M  ZZC   9 6
M  ZZC  10 5
M  ZZC  11 4
M  ZZC  12 3
M  ZZC  13 2
M  ZZC  14 1
M  ZZC  15 1'
M  ZZC  17 7''
M  ZZC  18 1''
M  ZZC  23 OCH3_1
M  ZZC  24 OH_2
M  ZZC  25 6''
M  ZZC  26 5''
M  ZZC  27 4''
M  ZZC  28 3''
M  ZZC  29 2''
M  ZZC  30 OCH3_3
M  END
>  <NMREDATA_VERSION>
1.1\

>  <NMREDATA_LEVEL>
0\

>  <NMREDATA_SOLVENT>
CD2Cl2\

>  <NMREDATA_ID>
\

>  <NMREDATA_TEMPERATURE>
298 K\

>  <NMREDATA_CONCENTRATION>
 mM\

>  <NMREDATA_PH>
\

>  <NMREDATA_FORMULA>
C23H24O7\

>  <NMREDATA_INCHI>
\

>  <NMREDATA_ALATIS>
\



>  <NMREDATA_ASSIGNMENT>
5''', 128.893, 1\
H5''', 7.33, H1\
4''', 133.672, 2\
H4''', 7.49, H2\
3''', 128.893, 3\
H3''', 7.33, H3\
2''', 130.015, 4\
H2''', 7.94, H4\
1''', 130.466, 5\
6''', 130.015, 6\
H6''', 7.94, H6\
7''', 166.341, 7\
6, 71.377, 9\
H6, 5.70, H9\
5, 126.128, 10\
H5, 5.85, H10\
4, 130.180, 11\
H4, 6.06, H11\
3, 79.370, 12\
H3, 3.96, H12\
2, 75.948, 13\
1, 80.535, 14\
H1, 3.87, H14\
1', 66.012, 15\
H1'a, 4.66, H15\
H1'b, 4.54, H15\
7'', 166.939, 17\
1'', 130.314, 18\
OCH3_1, 60.419, 23\
HOCH3_1, 3.61, H23\
6'', 129.860, 25\
H6'', 7.83, H25\
5'', 128.817, 26\
H5'', 7.32, H26\
4'', 133.403, 27\
H4'', 7.49, H27\
3'', 128.817, 28\
H3'', 7.32, H28\
2'', 129.860, 29\
H2'', 7.83, H29\
OCH3_3, 59.154, 30\
HOCH3_3, 3.52, H30\



>  <NMREDATA_J>

>  <NMREDATA_1D_1H>
Larmor=600.183706111\
Pulseprogram=zg30\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/10/fid\
7.953-7.8818, S=m, L=H2''', H6''', E=56093.081\
7.882-7.8030, S=m, L=H2'', H6'', E=50979.074\
7.489, S=dtt, J=15.0,7.4,1.3, L=H4'', H4''', E=57709.420\
7.399-7.2410, S=m, L=H3'', H3''', H5'', H5''', E=112300.174\
6.067, S=ddd, J=8.0,2.0,0.8, L=H4, E=25553.285\
5.849, S=dd, J=8.0,3.6, L=H5, E=24218.796\
5.700, S=ddd, J=4.0,0.8, L=H6, E=24062.461\
4.652, S=d, J=11.9, L=H1'a, E=29024.239\
4.560, S=d, J=11.9, L=H1'b, E=26043.762\
3.955, S=d, J=2.0, L=H3, E=28952.508\
3.876, S=d, J=4.6, L=H1, E=25957.541\
3.612, S=s, L=HOCH3_1, E=77764.239\
3.521, S=s, L=HOCH3_3, E=74764.166\
2.794, S=s, L=HOH_2, E=25148.105\
2.101, S=s, E=11275.719\

>  <NMREDATA_1D_13C>
Larmor=150.93047254\
Pulseprogram=zgzrse\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/11/fid\
166.933, S=s, L=7'', E=4944.691\
166.326, S=s, L=7''', E=5771.960\
133.667, S=s, L=4''', E=27489.156\
133.406, S=s, L=4'', E=27415.865\
130.475, S=s, L=1''', E=4814.716\
130.315, S=s, L=1'', E=3809.337\
130.172, S=s, L=4, E=30006.411\
130.018, S=s, L=2''', 6''', E=49583.077\
129.871, S=s, L=2'', 6'', E=47510.871\
128.886, S=s, L=3''', 5''', E=102636.739\
128.816, S=s, L=3'', 5'', E=51065.545\
126.127, S=s, L=5, E=25970.861\
80.534, S=s, L=1, E=28484.479\
79.396, S=s, L=3, E=30070.589\
75.945, S=s, L=2, E=7069.379\
71.380, S=s, L=6, E=28051.918\
65.999, S=s, L=1', E=31161.320\
60.424, S=s, L=OCH3_1, E=15723.798\
59.150, S=s, L=OCH3_3, E=14597.191\

>  <NMREDATA_2D_1H_NJ_1H>
Larmor=600.182661114399\
CorType=COSY\
Pulseprogram=cosygpppqf\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/12/ser\
H4'''/H5'''\
H6'''/H5'''\
H5'''/H4'''\
H3'''/H4'''\
H4'''/H3'''\
H2'''/H3'''\
H3'''/H2'''\
H5'''/H6'''\
H1/H6\
H4/H5\
H5/H4\
H3/H4\
H4/H3\
H6/H1\
H1'b/H1'a\
H1'a/H1'b\
H5''/H6''\
H6''/H5''\
H4''/H5''\
H5''/H4''\
H3''/H4''\
H4''/H3''\
H2''/H3''\
H3''/H2''\

>  <NMREDATA_2D_1H_D_1H>
Larmor=600.182661114399\
CorType=NOESY\
Pulseprogram=noesygpphpp\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/13/ser\
H6/H2'''\
H5/H2'''\
H1/H2'''\
H1'b/H2'''\
HOCH3_1/H2'''\
H6/H6'''\
H5/H6'''\
H1/H6'''\
H1'b/H6'''\
HOCH3_1/H6'''\
H2'''/H6\
H6'''/H6\
H5/H6\
H4/H6\
H1/H6\
H1'b/H6\
HOCH3_1/H6\
HOH_2/H6\
H2'''/H5\
H6'''/H5\
H6/H5\
H1'b/H5\
H6/H4\
H3/H4\
H1'b/H4\
HOCH3_3/H4\
H4/H3\
HOCH3_1/H3\
HOH_2/H3\
H6''/H3\
H2''/H3\
HOCH3_3/H3\
H2'''/H1\
H6'''/H1\
H6/H1\
H1'b/H1\
H1'a/H1\
HOCH3_1/H1\
HOH_2/H1\
H6''/H1\
H2''/H1\
H1/H1'a\
HOCH3_1/H1'a\
HOH_2/H1'a\
H6''/H1'a\
H2''/H1'a\
HOCH3_3/H1'a\
H2'''/H1'b\
H6'''/H1'b\
H6/H1'b\
H5/H1'b\
H4/H1'b\
H1/H1'b\
HOCH3_1/H1'b\
HOH_2/H1'b\
H2'''/HOCH3_1\
H6'''/HOCH3_1\
H6/HOCH3_1\
H3/HOCH3_1\
H1/HOCH3_1\
H1'b/HOCH3_1\
H1'a/HOCH3_1\
HOH_2/HOCH3_1\
H6''/HOCH3_1\
H2''/HOCH3_1\
H6/HOH_2\
H3/HOH_2\
H1/HOH_2\
H1'b/HOH_2\
H1'a/HOH_2\
HOCH3_1/HOH_2\
H6''/HOH_2\
H2''/HOH_2\
H3/H6''\
H1/H6''\
H1'a/H6''\
HOCH3_1/H6''\
HOH_2/H6''\
HOCH3_3/H6''\
H3/H2''\
H1/H2''\
H1'a/H2''\
HOCH3_1/H2''\
HOH_2/H2''\
HOCH3_3/H2''\
H4/HOCH3_3\
H3/HOCH3_3\
H1'a/HOCH3_3\
H6''/HOCH3_3\
H2''/HOCH3_3\

>  <NMREDATA_2D_1H_TJ_1H>
Larmor=600.182661114399\
CorType=TOCSY\
Pulseprogram=mlevphpp\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/14/ser\
H4'''/H5'''\
H3'''/H5'''\
H2'''/H5'''\
H6'''/H5'''\
H5'''/H4'''\
H3'''/H4'''\
H2'''/H4'''\
H6'''/H4'''\
H5'''/H3'''\
H4'''/H3'''\
H2'''/H3'''\
H6'''/H3'''\
H5'''/H2'''\
H4'''/H2'''\
H3'''/H2'''\
H6'''/H2'''\
H5'''/H6'''\
H4'''/H6'''\
H3'''/H6'''\
H2'''/H6'''\
H5/H6\
H3/H6\
H1/H6\
H6/H5\
H4/H5\
H3/H5\
H1/H5\
H5/H4\
H3/H4\
H1/H4\
H6/H3\
H5/H3\
H4/H3\
H6/H1\
H5/H1\
H4/H1\
H1'b/H1'a\
H1'a/H1'b\
H5''/H6''\
H4''/H6''\
H3''/H6''\
H2''/H6''\
H6''/H5''\
H4''/H5''\
H3''/H5''\
H2''/H5''\
H6''/H4''\
H5''/H4''\
H3''/H4''\
H2''/H4''\
H6''/H3''\
H5''/H3''\
H4''/H3''\
H2''/H3''\
H6''/H2''\
H5''/H2''\
H4''/H2''\
H3''/H2''\

>  <NMREDATA_2D_13C_1J_1H>
Larmor=600.182820846\
CorType=HSQC\
Pulseprogram=hsqcedetgpsisp2.3\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/15/ser\
5'''/H5'''\
4'''/H4'''\
3'''/H3'''\
6/H6\
5/H5\
3/H3\
1/H1\
1'/H1'a\
1'/H1'b\
OCH3_1/HOCH3_1\
5''/H5''\
4''/H4''\
3''/H3''\
OCH3_3/HOCH3_3\

>  <NMREDATA_2D_13C_NJ_1H>
Larmor=600.182661114399\
CorType=HMBC\
Pulseprogram=hmbcetgpl3nd\
Spectrum_Location=file:MTRM-8/MTRM-8 cd2cl2/16/ser\
2/H6\
5/H6\
7'''/H6\
2/H5\
3/H5\
6/H5\
2/H4\
3/H4\
5/H4\
6/H4\
1/H3\
1'/H3\
2/H3\
4/H3\
5/H3\
6/H3\
OCH3_3/H3\
1'/H1\
2/H1\
3/H1\
5/H1\
6/H1\
OCH3_1/H1\
2/H1'a\
7''/H1'a\
2/H1'b\
3/H1'b\
7''/H1'b\
1/HOCH3_1\
1'/HOH_2\
2/HOH_2\
3/HOH_2\
3/HOCH3_3\

$$$$
