493170
  -OEChem-06191320002D

 70 72  0     1  0  0  0  0  0999 V2000
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    2.5242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7321    1.9725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564    3.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    0.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   -0.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    3.1546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4764    3.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8540    4.1441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2364    3.5218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2802   -0.0666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1280    0.1571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9044    1.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 29  1  0  0  0  0
  2 18  1  0  0  0  0
  2 30  1  0  0  0  0
  3 25  1  0  0  0  0
  3 33  1  0  0  0  0
  4 24  1  0  0  0  0
  4 34  1  0  0  0  0
  5 26  1  0  0  0  0
  5 35  1  0  0  0  0
  6 28  1  0  0  0  0
  6 37  1  0  0  0  0
  7 29  2  0  0  0  0
  8 30  2  0  0  0  0
  9 34  2  0  0  0  0
 10 37  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 39  1  0  0  0  0
 12 14  1  0  0  0  0
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 12 40  1  0  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
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 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
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 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 48  1  0  0  0  0
 21 25  1  0  0  0  0
 21 49  1  0  0  0  0
 22 26  1  0  0  0  0
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 23 51  1  0  0  0  0
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 27 52  1  0  0  0  0
 29 31  1  0  0  0  0
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 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
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 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 33 60  1  0  0  0  0
 33 61  1  0  0  0  0
 34 36  1  0  0  0  0
 35 62  1  0  0  0  0
 35 63  1  0  0  0  0
 35 64  1  0  0  0  0
 36 65  1  0  0  0  0
 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
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 38 70  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
493170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
844

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAGgAAAAAADQSgmAIyDoAABACIAiDSCAACCAAgIAAIiAAGiIgNJiKEMRqCOiKkwBEKqAfAwPAOoAABAAAQQADAAAYAACCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[6-acetoxy-4-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-tetralin-2-yl]methyl acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [6-acetyloxy-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl ester

> <PUBCHEM_IUPAC_NAME>
[6-acetyloxy-4-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[6-acetyloxy-4-(4-acetyloxy-3-methoxy-phenyl)-3-(acetyloxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [6-acetoxy-4-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-tetralin-2-yl]methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H32O10/c1-15(29)35-13-21-9-20-11-26(34-6)27(38-18(4)32)12-22(20)28(23(21)14-36-16(2)30)19-7-8-24(37-17(3)31)25(10-19)33-5/h7-8,10-12,21,23,28H,9,13-14H2,1-6H3

> <PUBCHEM_IUPAC_INCHIKEY>
ISYNGIHUXCEJCI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
528.199547

> <PUBCHEM_MOLECULAR_FORMULA>
C28H32O10

> <PUBCHEM_MOLECULAR_WEIGHT>
528.54768

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)OCC1CC2=CC(=C(C=C2C(C1COC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC)OC(=O)C)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)OCC1CC2=CC(=C(C=C2C(C1COC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC)OC(=O)C)OC

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
528.199547

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  17  3
12  18  3
13  19  3
15  16  8
15  20  8
16  21  8
19  22  8
19  23  8
20  24  8
21  25  8
22  26  8
23  27  8
24  25  8
26  28  8
27  28  8

$$$$