15051723
  -OEChem-04242420312D

 50 53  0     1  0  0  0  0  0999 V2000
    5.1991    1.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4180   -1.3355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4359   -3.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0994   -1.6514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6549    1.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7235   -1.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    3.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568   -1.6740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357    0.5963    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.4558   -1.2352    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6268   -0.6761    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6769   -0.3696    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9024    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9485   -1.1642    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7257   -0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3673    0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9976   -2.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0009   -2.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7519   -0.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0103    1.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0403    1.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4136    0.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    1.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0852   -1.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4328   -2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2812    2.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7721   -1.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0162   -0.5683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974    0.9052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881    0.3690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5149   -1.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3817   -2.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0333   -2.7820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6200   -2.1304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564   -1.7739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    1.7944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0432   -1.8148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -2.3901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568   -3.0518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0256   -0.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8662    2.4297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1232    2.1412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8514   -2.9723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6483   -3.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0141   -2.5414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    1.7043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8823    2.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3642    2.9298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  2 37  1  0  0  0  0
  3 17  2  0  0  0  0
  4 19  1  0  0  0  0
  4 25  1  0  0  0  0
  5 24  1  0  0  0  0
  5 27  1  0  0  0  0
  6 25  2  0  0  0  0
  7 27  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 11 13  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15051723

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
700

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAFgAAAAAAAAA8WIAABYAWAACxAAAAHgAECAAADSzhmAYyzoMQBgCIAiXSWACCCAAhIgAgiAAObIgOZiLE8ZuWeijmxhnY6Afw0PMOwAABQgAKAACAAAKEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6-acetoxy-11-acetyl-9-hydroxy-8-methyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-4-yl)methyl acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid (11-acetyl-6-acetyloxy-9-hydroxy-8-methyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-4-yl)methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(11-acetyl-6-acetyloxy-9-hydroxy-8-methyl-14-oxa-1,11-diazatetracyclo[7.4.1.0<SUP>2,7</SUP>.0<SUP>10,12</SUP>]tetradeca-2(7),3,5-trien-4-yl)methyl acetate

> <PUBCHEM_IUPAC_NAME>
(11-acetyl-6-acetyloxy-9-hydroxy-8-methyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-4-yl)methyl acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6-acetyloxy-11-ethanoyl-8-methyl-9-oxidanyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-4-yl)methyl ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid (6-acetoxy-11-acetyl-9-hydroxy-8-methyl-14-oxa-1,11-diazatetracyclo[7.4.1.02,7.010,12]tetradeca-2(7),3,5-trien-4-yl)methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N2O7/c1-9-17-14(5-13(8-26-11(3)23)6-16(17)27-12(4)24)20-7-15-18(19(9,25)28-20)21(15)10(2)22/h5-6,9,15,18,25H,7-8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
DZHOMWDERGENFN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.4

> <PUBCHEM_EXACT_MASS>
390.14270105

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N2O7

> <PUBCHEM_MOLECULAR_WEIGHT>
390.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2=C(C=C(C=C2OC(=O)C)COC(=O)C)N3CC4C(C1(O3)O)N4C(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C2=C(C=C(C=C2OC(=O)C)COC(=O)C)N3CC4C(C1(O3)O)N4C(=O)C

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
390.14270105

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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>
11  13  3
14  18  3
15  16  8
15  19  8
16  20  8
19  23  8
12  2  3
20  22  8
22  23  8
10  8  3

$$$$