65071
  -OEChem-04202400222D

 64 70  0     1  0  0  0  0  0999 V2000
    5.4275   -1.7756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3389    1.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221   -2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1435    2.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5896   -2.3034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2161   -3.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0560    3.8380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5529   -0.4109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3380   -1.2688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4720   -0.7688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4720    0.2312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5780    0.7659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2040   -0.7688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3220   -2.3103    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6720    0.2520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3380    0.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040    0.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3680    1.7798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5780   -1.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -0.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9097    0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1140   -1.2756    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1221   -1.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374    0.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0701   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200   -2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336    0.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9742   -0.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5855    2.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0672    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8924   -1.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0429    0.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2081   -0.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -2.8436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -0.0897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    1.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9395    1.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8146    0.1236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4161    0.8138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9038    2.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0611   -0.6835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4629   -1.3733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6539   -1.5804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5852   -2.2046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4322   -2.4314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   -1.5845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6265    0.3485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    0.8307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3801   -0.8057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6070    0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7601    0.2682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863    3.4290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775    2.9006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2575    1.9321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4360    1.6256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6017    0.6395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0283   -1.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885    1.0185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 14  1  0  0  0  0
  2 18  1  0  0  0  0
  2 21  1  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 31  1  0  0  0  0
  5 19  2  0  0  0  0
  6 26  2  0  0  0  0
  7 31  2  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 23  1  1  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 35  1  6  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 24  1  1  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  0  0  0  0
 14 36  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 37  1  6  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 27  1  0  0  0  0
 18 42  1  6  0  0  0
 19 20  1  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 29  1  0  0  0  0
 22 30  1  6  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 27 31  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 62  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65071

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1010

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAEgAAASJAAAA0aIEABIAAAEjRgAAAGgAAAAAAD1SgmAIyDIAABECIAqjSiAICCAAkIAAIiAFGCMgNJxYENQ6CGSCl4BEKKYPK7vzvgAAAAAAAAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(3-furyl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(3-furanyl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,7<I>S</I>,10<I>R</I>,13<I>R</I>,14<I>R</I>,19<I>S</I>,20<I>S</I>)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0<SUP>2,7</SUP>.0<SUP>2,10</SUP>.0<SUP>14,16</SUP>.0<SUP>14,20</SUP>]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_NAME>
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,7S,10R,13R,14R,19S,20S)-19-(3-furyl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20?,23-,24-,25+,26+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KBDSLGBFQAGHBE-QDTQPDKMSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
470.19406791

> <PUBCHEM_MOLECULAR_FORMULA>
C26H30O8

> <PUBCHEM_MOLECULAR_WEIGHT>
470.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@]12CC[C@H]3[C@]([C@@]14C(O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C

> <PUBCHEM_CACTVS_TPSA>
105

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
470.19406791

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
9  1  5
10  23  5
11  35  6
12  24  5
13  25  6
14  26  3
15  37  6
18  42  6
22  30  6
30  32  8
30  33  8
32  34  8
8  33  8
8  34  8

$$$$