68873
  -OEChem-04232407242D

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    4.5664   -3.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    3.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786    0.0537    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9786    0.0537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6696   -0.8974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2876   -0.8974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6636    0.8384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4786   -1.4852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000   -0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3046    1.8623    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6841    0.6297    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0180    2.6797    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3031   -1.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    2.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9033   -1.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5180    1.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7253    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7678    0.4208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9651    3.5091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8289    2.3021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  1  0  0  0
  1 24  1  0  0  0  0
  2 24  2  0  0  0  0
  3 27  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 28  1  6  0  0  0
  5  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  6  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 20  1  1  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
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  9 18  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 34  1  6  0  0  0
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 12 17  1  0  0  0  0
 12 35  1  6  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 36  1  6  0  0  0
 14 17  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 16 21  1  0  0  0  0
 16 23  1  1  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 22  1  0  0  0  0
 18 43  1  0  0  0  0
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 21 26  1  0  0  0  0
 21 48  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
68873

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
828

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAAAAGDAAAaIAAAAwYMEABgAAAGDAAAAAGgAAAAAAD0SAgAACCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOKyPCPgAAAAAAAAACAAAYAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-tetrahydrofuran]-2',7-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>R</I>,4<I>R</I>,10<I>R</I>,11<I>S</I>,14<I>S</I>,15<I>S</I>,16<I>S</I>,18<I>S</I>,19<I>S</I>)-10,14-dimethylspiro[hexacyclo[9.8.0.0<SUP>2,4</SUP>.0<SUP>5,10</SUP>.0<SUP>14,19</SUP>.0<SUP>16,18</SUP>]nonadec-5-ene-15,5&apos;-oxolane]-2&apos;,7-dione

> <PUBCHEM_IUPAC_NAME>
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-tetrahydrofuran]-2',7-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30O3/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
METQSPRSQINEEU-HXCATZOESA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
366.21949481

> <PUBCHEM_MOLECULAR_FORMULA>
C24H30O3

> <PUBCHEM_MOLECULAR_WEIGHT>
366.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C

> <PUBCHEM_CACTVS_TPSA>
43.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.21949481

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
10

> <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>
9  1  5
11  34  6
12  35  6
13  36  6
16  23  5
4  28  6
5  29  6
6  30  6
7  20  5
8  31  5

$$$$