21770498
  -OEChem-05042412232D

 68 74  0     1  0  0  0  0  0999 V2000
    5.1967   -1.2164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0323   -1.4022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166   -2.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9045    0.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2253   -1.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190   -2.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190   -0.7006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4529   -0.2006    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4529    0.7994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1850   -0.2006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3190    1.2994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4054   -0.2939    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1850    0.7994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2144   -1.6951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7363   -1.0370    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1251    1.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5248    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416    1.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950    2.1723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2363   -1.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190   -1.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    2.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2754   -2.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9211   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1100    3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5197    2.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295   -2.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1038   -3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2045   -3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9180   -0.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6034   -1.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7168    0.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0551    1.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765    0.3126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9211    1.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7267   -2.3734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8909   -0.9482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5681    0.8503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8965    0.7737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238    1.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7190    2.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6144    2.1994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8712    4.1440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6785    4.1166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3334    2.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7133    3.4755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6073    3.9839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4729    4.1238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6128    3.2582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5825    3.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1365    2.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568    2.0920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1940   -3.3182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2129   -2.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4511   -2.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6174   -3.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7565   -3.7364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8229   -3.7041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1605   -4.2786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5860   -3.6162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8699   -0.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5362   -0.7972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9662   -1.4635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0566   -1.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0264   -2.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1502   -2.0772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 21  1  0  0  0  0
 10  2  1  6  0  0  0
  2 24  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 13  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  1  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 33  1  6  0  0  0
  9 11  1  0  0  0  0
  9 18  1  1  0  0  0
  9 21  1  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 11 34  1  6  0  0  0
 12 15  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  1  0  0  0
 14 20  1  0  0  0  0
 14 37  1  1  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  1  0  0  0
 16 19  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 22  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 23  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 28  2  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21770498

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
952

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAA0aNECBogAAEjQAAAAGgAAAAAADxSggAICCAAABACIAgDSCAAAAAAgAAAAAAEAAAgRBBIAIQAiAAAFwAAGIAHK7PzPgAAAAAAAAADAAAYAADCAAYQABAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,6R,7R,10S,12R,16S,17R,22R)-3,3,14,14,18,18-hexamethyl-11-methylene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.01,6.05,10.06,12.07,22.017,22]tetracosan-23-one

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,6R,7R,10S,12R,16S,17R,22R)-3,3,14,14,18,18-hexamethyl-11-methylene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.01,6.05,10.06,12.07,22.017,22]tetracosan-23-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,6<I>R</I>,7<I>R</I>,10<I>S</I>,12<I>R</I>,16<I>S</I>,17<I>R</I>,22<I>R</I>)-3,3,14,14,18,18-hexamethyl-11-methylidene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.0<SUP>1,6</SUP>.0<SUP>5,10</SUP>.0<SUP>6,12</SUP>.0<SUP>7,22</SUP>.0<SUP>17,22</SUP>]tetracosan-23-one

> <PUBCHEM_IUPAC_NAME>
(1S,6R,7R,10S,12R,16S,17R,22R)-3,3,14,14,18,18-hexamethyl-11-methylidene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.01,6.05,10.06,12.07,22.017,22]tetracosan-23-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,6R,7R,10S,12R,16S,17R,22R)-3,3,14,14,18,18-hexamethyl-11-methylidene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.01,6.05,10.06,12.07,22.017,22]tetracosan-23-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,6R,7R,10S,12R,16S,17R,22R)-3,3,14,14,18,18-hexamethyl-11-methylene-2,4,13,15,24-pentaoxaheptacyclo[14.8.0.01,6.05,10.06,12.07,22.017,22]tetracosan-23-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H36O6/c1-13-14-9-10-15-24-12-8-11-21(2,3)16(24)19-26(31-20(24)27)25(15,17(13)28-22(4,5)30-19)18(14)29-23(6,7)32-26/h14-19H,1,8-12H2,2-7H3/t14-,15-,16+,17+,18?,19-,24+,25-,26-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ITBAWZOWQHGXDF-TYWXRPSSSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
444.25118886

> <PUBCHEM_MOLECULAR_FORMULA>
C26H36O6

> <PUBCHEM_MOLECULAR_WEIGHT>
444.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCCC23C1C4C5(C67C2CCC(C6OC(O5)(C)C)C(=C)C7OC(O4)(C)C)OC3=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCC[C@]23[C@@H]1[C@H]4[C@]5([C@]67[C@H]2CC[C@H](C6OC(O5)(C)C)C(=C)[C@H]7OC(O4)(C)C)OC3=O)C

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
444.25118886

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  34  6
13  36  5
14  37  5
15  38  5
10  2  6
12  3  3
7  12  5
8  33  6
9  18  5

$$$$