128150
  -OEChem-04232403232D

 54 57  0     1  0  0  0  0  0999 V2000
    8.6500   -2.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1011   -3.0376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7237   -2.2467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127   -1.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3791    0.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1630   -1.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2714    1.8958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3476    2.2785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6541    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4237    1.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2714    0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0410    0.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476   -0.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9786    2.6029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476    3.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4237    0.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1075   -0.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957   -1.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9795   -1.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    0.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7687   -0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1082   -3.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2513   -3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    1.7749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8631    2.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1460    0.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1460    1.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3428    2.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090    1.9767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170    2.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4170    3.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5402    3.0413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    3.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3476    3.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7276    3.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6775   -0.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7799    1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9014   -3.8630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6677   -3.5456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -1.8863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246   -3.4234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5783   -3.6230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7780   -2.7692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737    1.5971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7650    1.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2496   -0.7140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5560   -1.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0925   -1.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 22  1  0  0  0  0
  2 25  1  0  0  0  0
  3 18  1  0  0  0  0
  3 26  1  0  0  0  0
  4 20  1  0  0  0  0
  4 45  1  0  0  0  0
  5 23  1  0  0  0  0
  5 27  1  0  0  0  0
  6 24  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  1  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  1  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 19  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
128150

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
529

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAYAEgBQAAAGgAACAAADQSAmAMyDoAABgCAAiBCAAACCAAgIAAAiAAGiIgdJyKGMRqgcCMlwBUPuAfA4PwOoAABCAAYQABAAAIQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(9<I>R</I>,10<I>S</I>)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.0<SUP>2,7</SUP>.0<SUP>14,18</SUP>]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_NAME>
(9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(9R,10S)-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-3-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H26O6/c1-11-6-13-8-15(24-3)20(25-4)19(23)17(13)18-14(7-12(11)2)9-16-21(22(18)26-5)28-10-27-16/h8-9,11-12,23H,6-7,10H2,1-5H3/t11-,12+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OGJPBGDUYKEQLA-NEPJUHHUSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
386.17293854

> <PUBCHEM_MOLECULAR_FORMULA>
C22H26O6

> <PUBCHEM_MOLECULAR_WEIGHT>
386.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4CC1C)OC)OC)O)OC)OCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C[C@H]1C)OC)OC)O)OC)OCO3

> <PUBCHEM_CACTVS_TPSA>
66.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.17293854

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
11  13  8
11  17  8
12  16  8
12  19  8
13  18  8
16  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  22  8
23  24  8
7  14  5
8  15  5

$$$$
