100026
  -OEChem-04232403232D

 63 68  0     1  0  0  0  0  0999 V2000
    9.2532   -1.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5621   -2.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    2.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455    2.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6406   -3.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4008    3.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -0.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -0.8403    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1893   -0.3403    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9213   -0.3403    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1893    0.6597    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2645   -1.8121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6583   -1.0074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2953   -0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213    0.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0398   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892    0.6805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2953    1.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -0.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9623   -2.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    1.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5712   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3287   -0.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455    1.2158    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5194    0.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204    2.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1044   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892    2.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    1.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807   -0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7262   -0.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4880   -0.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070   -2.3289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9017   -1.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6999   -1.3448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1334    1.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459   -0.4226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342   -0.9095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7784   -0.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1802   -0.9448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9714   -3.4224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5762   -2.8895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8093    1.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1893    2.2797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5693    1.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3180   -1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1371   -1.6689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8243   -0.8497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7888   -0.6811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7444    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    0.1503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9079    1.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2135    0.7265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9801   -0.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8252   -0.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8632    2.5786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    1.7216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9430   -0.6956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832    0.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  1  0  0  0  0
  2 28  1  0  0  0  0
  3 19  2  0  0  0  0
  4 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5 28  2  0  0  0  0
  6 30  2  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 35  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 22  1  0  0  0  0
 12 21  1  0  0  0  0
 12 36  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 19  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
 18 27  2  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 28  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 29  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 26 59  1  0  0  0  0
 27 30  1  0  0  0  0
 27 60  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  2  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
100026

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
968

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASJAAAA0YIEAAAAAAEjBgAAAGgAAAAAAD1SgmAIyDIAABECIAqjSiAACCAAkIAAIiAEGCMgMJxYENQqCGSCl4BEIKYPKzPDPgAAAAAAAAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
18-(3-furyl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_CAS_NAME>
18-(3-furanyl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]heneicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.0<SUP>2,7</SUP>.0<SUP>2,10</SUP>.0<SUP>14,19</SUP>]henicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_NAME>
18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
18-(3-furyl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]heneicos-14-ene-5,12,16-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
QUTATOGBENCRSS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
454.19915329

> <PUBCHEM_MOLECULAR_FORMULA>
C26H30O7

> <PUBCHEM_MOLECULAR_WEIGHT>
454.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C

> <PUBCHEM_CACTVS_TPSA>
92

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
454.19915329

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <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>
10  15  3
11  22  3
12  21  3
17  26  3
25  29  3
29  31  8
29  32  8
31  33  8
7  32  8
7  33  8
8  16  3
9  14  3

$$$$
