71230511
  -OEChem-04192417152D

 80 81  0     1  0  0  0  0  0999 V2000
    8.0833   -2.9160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0177   -0.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -0.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.1231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.1231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3421   -1.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3080   -1.6912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741   -2.1912    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6350   -1.2429    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6350   -1.2429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1972   -1.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9846   -3.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0632   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904   -3.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.1231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4279   -1.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805   -2.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7464   -1.2528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9980   -1.1543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6354   -2.6054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2431   -1.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0150   -1.2429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3196   -2.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8141   -1.8154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3759   -3.0557    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8672   -3.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5934   -3.2906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    0.1600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -2.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720   -2.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6324   -0.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520   -4.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2288   -4.0615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2288   -3.1847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9895   -0.6456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9895   -1.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8663   -1.5224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1053   -0.9139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322   -0.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4853    0.1600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2471   -0.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.9969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4871   -0.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2191    3.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9791    3.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.7431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
  1 26  1  0  0  0  0
 15  2  1  1  0  0  0
  2 56  1  0  0  0  0
 23  3  1  6  0  0  0
  3 34  1  0  0  0  0
  4 24  1  0  0  0  0
  4 36  1  0  0  0  0
 27  5  1  6  0  0  0
  5 37  1  0  0  0  0
  6 25  2  0  0  0  0
  7 30  2  0  0  0  0
  8 34  2  0  0  0  0
  9 35  2  0  0  0  0
 10 29  1  0  0  0  0
 10 35  1  0  0  0  0
 10 67  1  0  0  0  0
 11 34  1  0  0  0  0
 11 79  1  0  0  0  0
 11 80  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  1  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 46  1  0  0  0  0
 17 21  1  0  0  0  0
 17 47  1  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 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 20 55  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 27  1  0  0  0  0
 23 57  1  0  0  0  0
 24 30  1  0  0  0  0
 25 29  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 32  1  0  0  0  0
 27 61  1  0  0  0  0
 28 62  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 65  1  0  0  0  0
 32 33  2  0  0  0  0
 32 66  1  0  0  0  0
 33 39  1  0  0  0  0
 33 68  1  0  0  0  0
 35 38  1  0  0  0  0
 36 69  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 37 74  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 39 75  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71230511

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1150

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7PAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRyhgAICCALABgCIAqVSWAKACAAgIgAICAHAAEkJFBIAoSQMUAAExACLocOYyOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(4E,6Z,8S,9S,10E,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

> <PUBCHEM_IUPAC_CAS_NAME>
carbamic acid [(4E,6Z,8S,9S,10E,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(4<I>E</I>,6<I>Z</I>,8<I>S</I>,9<I>S</I>,10<I>E</I>,13<I>R</I>,14<I>S</I>,16<I>R</I>)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

> <PUBCHEM_IUPAC_NAME>
[(4E,6Z,8S,9S,10E,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(4E,6Z,8S,9S,10E,13R,14S,16R)-8,14,19-trimethoxy-4,10,12,16-tetramethyl-13-oxidanyl-3,20,22-tris(oxidanylidene)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbamic acid [(4E,6Z,8S,9S,10E,13R,14S,16R)-13-hydroxy-3,20,22-triketo-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17?,22+,23+,24-,26+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QTQAWLPCGQOSGP-VOCNFYPDSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
560.27338086

> <PUBCHEM_MOLECULAR_FORMULA>
C29H40N2O9

> <PUBCHEM_MOLECULAR_WEIGHT>
560.6

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1C[C@@H]([C@@H](C(/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC

> <PUBCHEM_CACTVS_TPSA>
164

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.27338086

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
12  1  6
14  18  5
16  20  3
15  2  5
23  3  6
27  5  6

$$$$