71315585
  -OEChem-05062400322D

 74 75  0     1  0  0  0  0  0999 V2000
    6.3512   -3.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2856   -0.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -2.1742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5760   -1.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   -2.4154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9030   -1.4671    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9030   -1.4671    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651   -2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2526   -3.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.3989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3312   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3853   -3.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6958   -1.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5875   -2.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0821   -2.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4030    1.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -2.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2574   -1.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1343   -1.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.5189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -0.7911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7550   -0.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871    3.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.0189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471    3.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
  1 24  1  0  0  0  0
 13  2  1  1  0  0  0
  2 52  1  0  0  0  0
 21  3  1  6  0  0  0
  3 65  1  0  0  0  0
 25  4  1  1  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
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  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  1  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
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 14 18  1  1  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  0  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  0  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  0  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>
71315585

> <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>
(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-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>
(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-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>
(4<I>E</I>,6<I>Z</I>,8<I>R</I>,9<I>S</I>,10<I>E</I>,12<I>S</I>,13<I>R</I>,14<I>R</I>,16<I>R</I>)-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>
(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-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>
(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-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>
(4E,6Z,8R,9S,10E,12S,13R,14R,16R)-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)/b9-7-,15-8+,16-12+/t14-,17+,21-,22-,24+,25-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FQHAJOLMHIBHDX-MLYHDKONSA-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>
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=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>
6

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <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  1  5
12  16  5
14  18  5
13  2  5
21  3  6
25  4  5

$$$$