21233
  -OEChem-04192400542D

 96102  0     1  0  0  0  0  0999 V2000
    5.5735    1.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2808   -2.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    2.3669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    4.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4835   -4.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7695   -2.0356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8969    2.8669    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.9854   -3.6377    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.0368    2.3703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7482   -3.0017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8969    3.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1547   -4.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0368    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804   -3.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7797    1.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1766    3.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0869   -4.9591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8969    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3969    2.0008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871   -2.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   -4.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450   -2.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3165    2.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4433   -2.7084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3165    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0837   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7820   -4.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3755   -3.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4563    3.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5449   -4.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7797   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5871   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0769    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2763   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0837    0.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5735   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7661   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695   -1.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7243    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    5.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6540   -5.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695   -2.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7176    1.8614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9514   -2.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    3.7524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1090    4.4427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5347   -4.6144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451   -5.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6382    4.8316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2428    1.7209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3413    0.9725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9338    2.3108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8212   -2.4726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1597   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    1.0877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9671   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3869   -1.7065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737    1.0877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1935   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3861   -0.3094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    3.4038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1874    3.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4143    2.3299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2103    5.3601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0431   -5.4658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597   -5.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2649   -5.2543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695   -2.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3895   -2.0356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7695   -1.4156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  1 39  1  0  0  0  0
  2 32  1  0  0  0  0
  2 40  1  0  0  0  0
  3 31  1  0  0  0  0
  3 45  1  0  0  0  0
  4 33  1  0  0  0  0
  4 46  1  0  0  0  0
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  7  9  1  0  0  0  0
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 15 27  2  0  0  0  0
 16 26  1  0  0  0  0
 16 57  1  0  0  0  0
 16 58  1  0  0  0  0
 17 28  2  0  0  0  0
 18 22  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 61  1  0  0  0  0
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 20 64  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 29  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 30  2  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 23 71  1  0  0  0  0
 24 72  1  0  0  0  0
 24 73  1  0  0  0  0
 24 74  1  0  0  0  0
 25 31  1  0  0  0  0
 26 35  2  0  0  0  0
 26 36  1  0  0  0  0
 27 32  1  0  0  0  0
 27 75  1  0  0  0  0
 28 33  1  0  0  0  0
 28 76  1  0  0  0  0
 29 37  2  0  0  0  0
 29 38  1  0  0  0  0
 30 34  1  0  0  0  0
 30 77  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 35 40  1  0  0  0  0
 35 78  1  0  0  0  0
 36 43  2  0  0  0  0
 36 79  1  0  0  0  0
 37 41  1  0  0  0  0
 37 80  1  0  0  0  0
 38 42  2  0  0  0  0
 38 81  1  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 40 44  2  0  0  0  0
 41 82  1  0  0  0  0
 42 83  1  0  0  0  0
 43 44  1  0  0  0  0
 43 84  1  0  0  0  0
 45 85  1  0  0  0  0
 45 86  1  0  0  0  0
 45 87  1  0  0  0  0
 46 88  1  0  0  0  0
 46 89  1  0  0  0  0
 46 90  1  0  0  0  0
 47 91  1  0  0  0  0
 47 92  1  0  0  0  0
 47 93  1  0  0  0  0
 48 94  1  0  0  0  0
 48 95  1  0  0  0  0
 48 96  1  0  0  0  0
M  CHG  2   7   1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
21233

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1060

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8eMGCAAAAAACxVAAAHgAAAAAADCzBmAYyBoMABACAAiBCAACCCAAgIAAIiAAOjIgNJyKEsRuGOCrnwBWKqAew8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,16<I>R</I>)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.2<SUP>3,6</SUP>.1<SUP>8,12</SUP>.1<SUP>18,22</SUP>.0<SUP>27,31</SUP>.0<SUP>16,34</SUP>]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_NAME>
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,16R)-9,10,21,25-tetramethoxy-15,15,30,30-tetramethyl-7,23-dioxa-15,30-diazoniaheptacyclo[22.6.2.23,6.18,12.118,22.027,31.016,34]hexatriaconta-3(36),4,6(35),8(34),9,11,18(33),19,21,24,26,31-dodecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JFXBEKISTKFVAB-AJQTZOPKSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
652.35123726

> <PUBCHEM_MOLECULAR_FORMULA>
C40H48N2O6+2

> <PUBCHEM_MOLECULAR_WEIGHT>
652.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC)C

> <PUBCHEM_CACTVS_TPSA>
55.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
652.35123726

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_HEAVY_ATOM_COUNT>
48

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
10  50  6
13  17  8
13  25  8
15  22  8
15  27  8
17  28  8
22  30  8
25  31  8
26  35  8
26  36  8
27  32  8
28  33  8
29  37  8
29  38  8
30  34  8
31  33  8
32  34  8
35  40  8
36  43  8
37  41  8
38  42  8
39  41  8
39  42  8
40  44  8
43  44  8
9  49  5

$$$$