71433795
  -OEChem-05112418562D

 74 75  0     1  0  0  0  0  0999 V2000
    7.5974   -2.8114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6631   -0.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3551    0.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8555    2.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829    0.0920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3386   -1.8455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3727   -1.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.8796    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0457   -1.1384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0457   -1.1384    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -1.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6549   -0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5457   -2.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3210    0.9524    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8904   -3.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.9183    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9940    1.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7250    3.5185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0232    0.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9002   -2.2839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108   -1.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6657   -1.1384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1489   -1.5090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8810   -1.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7452   -1.3473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2683   -0.6436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5646   -0.1205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1604   -0.3533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0088   -2.3144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8557   -2.5413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0827   -1.6944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0484   -0.1336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3210    0.3324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.0801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.9569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3288   -3.9569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0216    2.5370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4324    0.9623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4324    1.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5556    1.8391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1655   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4752    0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    1.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3397    3.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6441    4.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1103    3.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862    1.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7132    0.3854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5602    0.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 24  1  0  0  0  0
  2 13  1  0  0  0  0
  2 52  1  0  0  0  0
  3 21  1  0  0  0  0
  3 65  1  0  0  0  0
  4 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5 23  2  0  0  0  0
  6 28  2  0  0  0  0
  7 32  2  0  0  0  0
  8 22  1  0  0  0  0
  8 63  1  0  0  0  0
  8 64  1  0  0  0  0
  9 27  1  0  0  0  0
  9 32  1  0  0  0  0
  9 66  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 42  1  0  0  0  0
 15 19  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 20  2  3  0  0  0
 17 48  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 25  1  0  0  0  0
 21 53  1  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 30  1  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  2  3  0  0  0
 30 62  1  0  0  0  0
 31 35  1  0  0  0  0
 31 67  1  0  0  0  0
 32 34  1  0  0  0  0
 33 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 35  2  3  0  0  0
 34 36  1  0  0  0  0
 35 71  1  0  0  0  0
 36 72  1  0  0  0  0
 36 73  1  0  0  0  0
 36 74  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71433795

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1020

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRyhgAICAALABgCIAqVSUACAAAAgAgAICAGAAEgJFBIAoSAEUAAExACLscOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
19-amino-9,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_CAS_NAME>
19-amino-9,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
19-amino-9,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_NAME>
19-amino-9,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
19-azanyl-8,14-dimethoxy-4,10,12,16-tetramethyl-9,13-bis(oxidanyl)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
19-amino-9,13-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H38N2O7/c1-14-10-18-23(28)20(30)13-19(26(18)33)29-27(34)15(2)8-7-9-21(35-5)24(31)16(3)12-17(4)25(32)22(11-14)36-6/h7-9,12-14,17,21-22,24-25,31-32H,10-11,28H2,1-6H3,(H,29,34)

> <PUBCHEM_IUPAC_INCHIKEY>
FQHAJOLMHIBHDX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
502.26790156

> <PUBCHEM_MOLECULAR_FORMULA>
C27H38N2O7

> <PUBCHEM_MOLECULAR_WEIGHT>
502.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)O)C)C)O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)O)C)C)O)OC

> <PUBCHEM_CACTVS_TPSA>
148

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
502.26790156

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
3

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  1  3
12  16  3
14  18  3
17  20  1
13  2  3
21  3  3
30  31  1
34  35  1
25  4  3

$$$$