154701586
  -OEChem-04282423282D

 40 43  0     1  0  0  0  0  0999 V2000
    4.3177    0.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7899    1.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5402    1.3953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -0.3207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4004   -1.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6664   -0.2988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7655    0.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7603   -1.3362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8959   -0.4383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5674    0.1351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5430    1.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042   -1.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9657   -1.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1664    1.8919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1664    1.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6389   -1.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237   -1.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6330   -2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9996    0.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870   -2.1858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3803   -0.7826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8780   -0.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1564    1.5948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9844    0.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -2.4339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3394   -2.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -1.4127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963   -2.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3044    2.4963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6078    2.1609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2755    0.5614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4446    0.2814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   -0.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9934    2.7288    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    3.4712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845    3.0048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0943   -3.1736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1681   -3.1799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  6  1  1  1  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  1  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 22  1  6  0  0  0
  9 13  1  0  0  0  0
  9 17  1  1  0  0  0
  9 23  1  0  0  0  0
 10 24  1  6  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  1  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
154701586

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
489

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAAAAAAAAAAAA0SIAABIkAAACQAAAAGgAABAAADUSwgAMCCAAABACIAgDSCAAAAAAgAAAAAAEAAEgRBBIAIQAiAAAEwAAGIIHK7PyOgAAAAAAAAACAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,4S,5R,8R,12S,13R)-1,5-dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,4S,5R,8R,12S,13R)-1,5-dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,4<I>S</I>,5<I>R</I>,8<I>R</I>,12<I>S</I>,13<I>R</I>)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.0<SUP>4,13</SUP>.0<SUP>8,13</SUP>]hexadecan-10-one

> <PUBCHEM_IUPAC_NAME>
(1R,4S,5R,8R,12S,13R)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,4S,5R,8R,12S,13R)-1,5-dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,4S,5R,8R,12S,13R)-1,5-dimethyl-9-methylene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8,10-11,13H,2,4-7H2,1,3H3/t8-,10+,11-,13-,14-,15-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IGEBZMMCKFUABB-WJYBAWFFSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
280.13107373

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20O5

> <PUBCHEM_MOLECULAR_WEIGHT>
280.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(=C)C(=O)OC3C24C1CCC(O3)(OO4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CC[C@@H]2C(=C)C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C

> <PUBCHEM_CACTVS_TPSA>
54

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.13107373

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <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>
6  1  5
10  24  6
14  19  5
7  21  5
8  22  6
9  17  5

$$$$
