65727
  -OEChem-05302104182D

 72 77  0     1  0  0  0  0  0999 V2000
   10.1703    3.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7630   -1.7242    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8304    0.5106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0934   -0.1565    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6964    0.0106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4985   -1.0643    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5625    0.5106    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4872   -0.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1110   -0.2632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5625    1.5106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8304    1.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072   -1.2301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6964    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    2.0452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9644    1.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564   -0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0079   -1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789   -2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    0.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -3.2750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4313    3.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    0.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5866    2.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063    2.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3625    3.6869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3063    3.1516    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8953   -4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7453    0.6190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3834   -0.4899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432   -1.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559   -0.3394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4863   -1.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1037   -1.0273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5124   -0.4250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3018    1.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.0932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.4029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2230   -0.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0950    2.4855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2979    2.4855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2744    1.5475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274    1.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.4737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0518   -0.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8500   -0.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8034   -1.1457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.8324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9969   -3.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3880   -2.6380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8996    0.8943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0239    0.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802    0.0622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3551   -3.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2088    3.7087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8231    3.0098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -2.6495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -3.3424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8982    0.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8924    3.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    2.8444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2807    1.9992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5153    1.4830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9171    2.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7561    4.1659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9579    4.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3027    3.7716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2753   -4.2774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8977   -4.8950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5153   -4.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1680    4.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 28  1  1  6  0  0  0
  1 72  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  6  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 31  1  1  0  0  0
  6  8  1  0  0  0  0
  6 32  1  1  0  0  0
  7 10  1  0  0  0  0
  7 16  1  0  0  0  0
  7 33  1  6  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 12  1  0  0  0  0
  9 19  1  1  0  0  0
  9 36  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 37  1  1  0  0  0
 11 13  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 17  1  0  0  0  0
 12 40  1  1  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 20  1  0  0  0  0
 14 22  1  0  0  0  0
 14 25  1  6  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 24  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 23  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 21  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 24  2  0  0  0  0
 20 26  1  0  0  0  0
 21 23  1  0  0  0  0
 21 29  1  1  0  0  0
 21 55  1  0  0  0  0
 22 27  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
 26 28  1  0  0  0  0
 26 64  1  0  0  0  0
 26 65  1  0  0  0  0
 27 28  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 29 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65727

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
715

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6IAAAAAAAAAAAAAAAAAAAAeIAAAA8YIEAAAAWAHiAAAAAHgAACAAADzzhgAYCAAMAAgCAAiBCAAAAAAAgAAAACAAIAAgAEAIAgQAEQAAEwACIAAOQwPAPgAAAAAAAAADAAAQAACAAASAACQAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>S</I>,7<I>S</I>,10<I>R</I>,11<I>S</I>,14<I>S</I>,15<I>R</I>,16<I>S</I>,17<I>R</I>,20<I>S</I>,23<I>S</I>)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.0<SUP>2,11</SUP>.0<SUP>5,10</SUP>.0<SUP>15,23</SUP>.0<SUP>17,22</SUP>]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_NAME>
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
JVKYZPBMZPJNAJ-OQFNDJACSA-N

> <PUBCHEM_XLOGP3_AA>
6.1

> <PUBCHEM_EXACT_MASS>
397.334464995

> <PUBCHEM_MOLECULAR_FORMULA>
C27H43NO

> <PUBCHEM_MOLECULAR_WEIGHT>
397.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.334464995

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
11

> <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>
28  1  6
10  37  5
12  40  5
14  25  6
21  29  5
3  15  6
4  30  5
5  31  5
6  32  5
7  33  6
9  19  5

$$$$
