243725
  -OEChem-05142412312D

 53 57  0     1  0  0  0  0  0999 V2000
    4.7340   -0.6444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2118   -3.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6521    1.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1360    0.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116    3.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149    5.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    0.8556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7340    0.3556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2424   -3.8236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6571   -2.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8841   -2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680   -1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7491   -4.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020   -0.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0020    0.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8520    1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860   -2.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0920   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -2.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2558   -5.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491   -4.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7584    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833    3.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187    4.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790    5.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1286    1.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4669   -0.0751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -4.3464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1960   -3.1815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0187   -2.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550   -4.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486    0.2771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.9638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -0.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458   -2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7165   -5.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9499   -6.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951   -5.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7538   -5.2981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690   -4.6733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7443   -4.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    2.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2965    3.8177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200    4.9996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9928    5.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.9853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9910    5.0199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2147    5.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    6.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  2  0  0  0  0
  5 26  1  0  0  0  0
  5 28  1  0  0  0  0
  6 27  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  6  0  0  0
  8 18  1  0  0  0  0
  8 31  1  6  0  0  0
  9 10  1  0  0  0  0
  9 13  1  6  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 14  2  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 16 19  1  0  0  0  0
 16 24  2  0  0  0  0
 17 21  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
243725

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAA0aIEAAAAAAEiRQAAAGgAAAAAADRSgmAIyBoAABACIAqBSAAACCAAkIAAIiAEGiMgNJzaENRqCOWKl4BUKqYfK7PzOoQADCAAIQABCAAYQABCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,6R,13S)-6-isopropyl-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]heneicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,6<I>R</I>,13<I>S</I>)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.0<SUP>3,11</SUP>.0<SUP>4,8</SUP>.0<SUP>14,19</SUP>]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_NAME>
(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,6R,13S)-6-isopropyl-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]heneicosa-3(11),4(8),9,14,16,18-hexaen-12-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DTFARBHXORYQBF-HBGVWJBISA-N

> <PUBCHEM_XLOGP3>
4.2

> <PUBCHEM_EXACT_MASS>
396.15728848

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24O6

> <PUBCHEM_MOLECULAR_WEIGHT>
396.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
396.15728848

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <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  12  8
11  17  8
12  14  8
14  20  8
16  19  8
16  24  8
17  21  8
19  25  8
20  21  8
24  26  8
25  27  8
26  27  8
7  30  6
8  31  6
9  13  6

$$$$