121313
  -OEChem-05072418252D

 88 94  0     1  0  0  0  0  0999 V2000
    3.7320    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    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
    3.7321   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5000    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
    3.7321   -2.0000    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   -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
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    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
    7.1962   -4.0000    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
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    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    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
    4.5981    0.5000    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
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9051    1.7639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0231   -1.7639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    4.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    4.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -4.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4652   -3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422   -5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6822   -5.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 37  1  0  0  0  0
  2 22  1  0  0  0  0
  2 38  1  0  0  0  0
  3 29  1  0  0  0  0
  3 43  1  0  0  0  0
  4 30  1  0  0  0  0
  4 44  1  0  0  0  0
  5 31  1  0  0  0  0
  5 45  1  0  0  0  0
  6 32  1  0  0  0  0
  6 46  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 47  1  1  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 10 48  1  1  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
 12 22  2  0  0  0  0
 13 17  1  0  0  0  0
 13 49  1  0  0  0  0
 13 50  1  0  0  0  0
 14 18  1  0  0  0  0
 14 51  1  0  0  0  0
 14 52  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  2  0  0  0  0
 16 18  1  0  0  0  0
 16 28  2  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 23  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 20 24  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 29  1  0  0  0  0
 22 30  1  0  0  0  0
 23 33  2  0  0  0  0
 23 35  1  0  0  0  0
 24 34  2  0  0  0  0
 24 36  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 26 66  1  0  0  0  0
 27 31  1  0  0  0  0
 27 67  1  0  0  0  0
 28 32  1  0  0  0  0
 28 68  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 33 40  1  0  0  0  0
 33 69  1  0  0  0  0
 34 39  1  0  0  0  0
 34 70  1  0  0  0  0
 35 42  2  0  0  0  0
 35 71  1  0  0  0  0
 36 41  2  0  0  0  0
 36 72  1  0  0  0  0
 37 39  2  0  0  0  0
 37 41  1  0  0  0  0
 38 40  2  0  0  0  0
 38 42  1  0  0  0  0
 39 73  1  0  0  0  0
 40 74  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
 43 79  1  0  0  0  0
 44 80  1  0  0  0  0
 44 81  1  0  0  0  0
 44 82  1  0  0  0  0
 45 83  1  0  0  0  0
 45 84  1  0  0  0  0
 45 85  1  0  0  0  0
 46 86  1  0  0  0  0
 46 87  1  0  0  0  0
 46 88  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121313

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
895

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/OAAAAAAAAAAAAAAAAAAAAAAAAAA8eMGCAAAAAACxVAAAHgAAAAAADCzBmAYyBoMABACAAiBCAACCCAAgIAAIiAAOjIgNJyKEsRuGOCrnwBWKqAew8P8OoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_CAS_NAME>
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(11<I>R</I>,26<I>R</I>)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.2<SUP>13,16</SUP>.1<SUP>3,7</SUP>.1<SUP>18,22</SUP>.0<SUP>11,36</SUP>.0<SUP>26,33</SUP>]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_NAME>
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(11R,26R)-4,5,19,20-tetramethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(31),3(36),4,6,13,15,18(33),19,21,28(32),29,34-dodecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C38H42N2O6/c1-39-17-15-25-21-31(41-3)35(43-5)37-33(25)29(39)19-23-7-11-28(12-8-23)46-38-34-26(22-32(42-4)36(38)44-6)16-18-40(2)30(34)20-24-9-13-27(45-37)14-10-24/h7-14,21-22,29-30H,15-20H2,1-6H3/t29-,30-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ANOXEUSGZWSCQL-LOYHVIPDSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
622.30428706

> <PUBCHEM_MOLECULAR_FORMULA>
C38H42N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
622.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
622.30428706

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
46

> <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  48  5
11  15  8
11  21  8
12  16  8
12  22  8
15  27  8
16  28  8
21  29  8
22  30  8
23  33  8
23  35  8
24  34  8
24  36  8
27  31  8
28  32  8
29  31  8
30  32  8
33  40  8
34  39  8
35  42  8
36  41  8
37  39  8
37  41  8
38  40  8
38  42  8
9  47  5

$$$$