65717
  -OEChem-05072410472D

 66 68  0     1  0  0  0  0  0999 V2000
    6.2061   -1.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629   -0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806   -1.5346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7204    3.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018    2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486   -1.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5018    3.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6037    4.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0018    2.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140   -0.3090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4629   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1571   -0.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4629    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690   -0.5347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4140    1.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5690    1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    2.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5018    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7204   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5018    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0018    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -3.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8678    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1358    2.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    4.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -4.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718    4.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5018    3.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0018    3.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5583   -0.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4482   -1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6457   -0.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832   -0.0525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351   -0.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6056    1.8986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1272    1.3328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1898    2.4198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7993    3.1147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3941    0.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    1.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9507   -3.6247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3412   -2.9298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646   -2.9346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5578    1.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4047    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1778    2.2689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4458    3.2689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5988    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8258    2.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2634   -4.5616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8905   -5.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033   -4.5473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -2.5241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -2.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -3.6050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1879    5.0878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384    4.8706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    4.0211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5387    3.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3118    4.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4648    4.2741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
  1 13  1  0  0  0  0
 14  2  1  6  0  0  0
  2 21  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  1  0  0  0  0
 16  4  1  6  0  0  0
  4 22  1  0  0  0  0
  5 20  1  0  0  0  0
  5 29  1  0  0  0  0
  6 21  2  0  0  0  0
  7 22  2  0  0  0  0
  8 24  1  0  0  0  0
  8 33  1  0  0  0  0
  9 29  2  0  0  0  0
 10 33  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  6  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  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
 29 32  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 32 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 34  1  0  0  0  0
 34 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65717

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
915

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAEgAAAQAAAAAgAAAAAAAAAEAAAAAAGgAAAAAADVSwgAMCCAAABACIAiDSCAAACAAgIAAACAEAAAgZBBYAIQAiEAAF4AAOoAPA4DwOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(1S,6S,7R,7aS)-4-(acetoxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetoxy-3-methyl-butanoate

> <PUBCHEM_IUPAC_CAS_NAME>
3-acetyloxy-3-methylbutanoic acid [(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methyl-1-oxobutoxy)-6-spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(1<I>S</I>,6<I>S</I>,7<I>R</I>,7<I>a</I><I>S</I>)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7<I>a</I>-dihydro-1<I>H</I>-cyclopenta[c]pyran-7,2&apos;-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate

> <PUBCHEM_IUPAC_NAME>
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methyl-butanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-acetoxy-3-methyl-butyric acid [(1S,6S,7R,7aS)-4-(acetoxymethyl)-1-isovaleryloxy-spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FWKBQAVMKVZEOT-STCFVSJZSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
480.19954721

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32O10

> <PUBCHEM_MOLECULAR_WEIGHT>
480.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)CC(=O)OC1C2C(=CC(C23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C

> <PUBCHEM_CACTVS_TPSA>
127

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
480.19954721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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  1  5
12  35  6
14  2  6
16  4  6

$$$$