16057860
  -OEChem-04282423382D

 90 89  0     1  0  0  0  0  0999 V2000
    9.7942   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6603    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1865    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0526    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9186    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7846    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6506    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5167    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3827    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2487    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5229    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7258    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9870    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1899    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0560   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8530   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7190    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9220    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7880   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5851   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4511    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6540    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5201   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3171   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1831    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3861    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2521   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0492   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9152    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1181    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9842   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7812   -0.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5587    0.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7856    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9387    1.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1 78  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8 10  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 13  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 12 14  1  0  0  0  0
 12 50  1  0  0  0  0
 12 51  1  0  0  0  0
 13 16  1  0  0  0  0
 13 52  1  0  0  0  0
 13 53  1  0  0  0  0
 14 15  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 17  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 19  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 18  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 18 20  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 21  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 20 22  1  0  0  0  0
 20 66  1  0  0  0  0
 20 67  1  0  0  0  0
 21 23  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 22 24  1  0  0  0  0
 22 70  1  0  0  0  0
 22 71  1  0  0  0  0
 23 25  1  0  0  0  0
 23 72  1  0  0  0  0
 23 73  1  0  0  0  0
 24 26  1  0  0  0  0
 24 74  1  0  0  0  0
 24 75  1  0  0  0  0
 25 27  1  0  0  0  0
 25 76  1  0  0  0  0
 25 77  1  0  0  0  0
 26 28  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 29  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 28 30  1  0  0  0  0
 28 83  1  0  0  0  0
 28 84  1  0  0  0  0
 29 85  1  0  0  0  0
 29 86  1  0  0  0  0
 29 87  1  0  0  0  0
 30 88  1  0  0  0  0
 30 89  1  0  0  0  0
 30 90  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16057860

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
288

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
26

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(10S)-nonacosan-10-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(10S)-10-nonacosanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(10<I>S</I>)-nonacosan-10-ol

> <PUBCHEM_IUPAC_NAME>
(10S)-nonacosan-10-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(10S)-nonacosan-10-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(10S)-nonacosan-10-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CPGCVOVWHCWVTP-LJAQVGFWSA-N

> <PUBCHEM_XLOGP3_AA>
14

> <PUBCHEM_EXACT_MASS>
424.464416533

> <PUBCHEM_MOLECULAR_FORMULA>
C29H60O

> <PUBCHEM_MOLECULAR_WEIGHT>
424.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCC)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCC)O

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
424.464416533

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
2  1  5

$$$$
