6917974
  -OEChem-04262420402D

 60 65  0     1  0  0  0  0  0999 V2000
    5.7364   -2.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018   -2.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   -0.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739   -1.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3399   -1.0947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6079   -1.0947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6831   -2.5666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6079   -0.0948    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0770   -1.7618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6718   -2.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7140    0.4399    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3399   -0.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4739    0.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7140   -1.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -0.0739    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2060   -0.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -1.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7390    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0555   -1.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5838    0.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079    2.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.5463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3661   -0.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7233   -2.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3446   -0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125   -1.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6144   -1.9447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5079   -3.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440   -0.5198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665   -2.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5431   -3.2761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2614   -2.8614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505   -0.2024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5520    0.4879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3203   -2.1084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1185   -2.0992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0734   -0.5018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5160   -1.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7429   -0.2848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8960   -0.0578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.0095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988   -1.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3473    1.4044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9615    2.1033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    0.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -0.1224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8896    0.3939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1231    1.2391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2780    1.4725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2125    2.5513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    2.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677    2.1663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9521   -0.1436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5307   -2.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0024    2.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5372    0.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1  8  1  0  0  0  0
 24  2  1  1  0  0  0
  2 59  1  0  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  1  0  0  0
  8 11  1  0  0  0  0
  8 30  1  6  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 31  1  6  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 16 41  1  1  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 23  1  0  0  0  0
 19 47  1  0  0  0  0
 19 48  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 27  2  0  0  0  0
 25 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 28  1  0  0  0  0
 27 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6917974

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
786

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAEgAAAYAAAAA0YMECAAAAAGDQAAAAGgAACAAAD1SggAICCAAABgCIAiDSCAAACAAgIAAICAAAAEgIFAIAIQACUAAEgAAIoYOAwPAPgAAAAAAAAADAAAYAADAAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]-2-pyranone

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(1<I>R</I>,2<I>S</I>,4<I>R</I>,6<I>R</I>,7<I>R</I>,10<I>S</I>,11<I>S</I>,14<I>S</I>,16<I>R</I>)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.0<SUP>2,4</SUP>.0<SUP>2,7</SUP>.0<SUP>11,16</SUP>]octadecan-6-yl]pyran-2-one

> <PUBCHEM_IUPAC_NAME>
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-14-oxidanyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-14-hydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-6-yl]pyran-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H32O4/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)19(12-20-24(18,23)28-20)14-3-6-21(26)27-13-14/h3,6,13,15-20,25H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19-,20-,22+,23-,24-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ATLJNLYIJOCWJE-CWMZOUAVSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
384.23005950

> <PUBCHEM_MOLECULAR_FORMULA>
C24H32O4

> <PUBCHEM_MOLECULAR_WEIGHT>
384.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(CC1CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@]35[C@H](O5)C[C@@H]4C6=COC(=O)C=C6)C)O

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
384.23005950

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

> <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>
5  1  5
10  20  5
12  22  5
16  41  5
24  2  5
20  25  8
20  26  8
25  27  8
27  28  8
3  26  8
3  28  8
6  17  5
7  29  5
8  30  6
9  31  6

$$$$