NP-MRD: Showing NP-Card for 4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol (NP0318262)

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Record Information

Version

2.0

Created at

2022-09-11 18:39:24 UTC

Updated at

2022-09-11 18:39:24 UTC

NP-MRD ID

NP0318262

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112220392D          

121123  0  0  0  0            999 V2000
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M  END


  Mrv1652309112220392D          

121123  0  0  0  0            999 V2000
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M  END
> <DATABASE_ID>
NP0318262

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCC1=CC(OC)=C(O)C(OC2CCC(OC2(C)CCCC(C)CCCC(C)CCCC(C)C)C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(O2)C(C)(O)CCCC(C)CCCC(C)CCCC(C)C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C114H216O7/c1-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-80-103-89-104(117-22)110(115)105(90-103)118-107-83-84-109(120-112(107,19)86-57-77-100(15)73-53-69-96(11)65-49-61-92(4)5)114(21,88-59-79-102(17)75-55-71-98(13)67-51-63-94(8)9)121-113(20,87-58-78-101(16)74-54-70-97(12)66-50-62-93(6)7)108-82-81-106(119-108)111(18,116)85-56-76-99(14)72-52-68-95(10)64-48-60-91(2)3/h30-31,89-102,106-109,115-116H,23-29,32-88H2,1-22H3/b31-30+

> <INCHI_KEY>
ATXHWUFKYBJYEE-NVQSTNCTSA-N

> <FORMULA>
C114H216O7

> <MOLECULAR_WEIGHT>
1698.975

> <EXACT_MASS>
1697.654609295

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
337

> <JCHEM_AVERAGE_POLARIZABILITY>
231.80669010008182

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(18E)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol

> <JCHEM_LOGP>
41.16820442999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.056634307895

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.663059749002038

> <JCHEM_PKA_STRONGEST_BASIC>
-3.211435829371255

> <JCHEM_POLAR_SURFACE_AREA>
86.61000000000001

> <JCHEM_REFRACTIVITY>
531.2858999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
81

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-[(18E)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0     -18.672 -36.960   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -17.338 -36.190   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -17.338 -34.650   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -16.004 -33.880   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -16.004 -32.340   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -14.670 -31.570   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -14.670 -30.030   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -13.337 -29.260   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -13.337 -27.720   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.003 -26.950   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -12.003 -25.410   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -10.669 -24.640   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -9.336 -25.410   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.002 -24.640   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335 -24.640   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001 -25.410   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667 -24.640   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334 -25.410   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000 -24.640   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334 -25.410   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -24.640   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001 -25.410   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335 -24.640   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002 -24.640   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336 -25.410   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.669 -24.640   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.669 -23.100   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003 -22.330   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      12.003 -20.790   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      13.337 -20.020   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.337 -23.100   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      14.670 -22.330   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.337 -24.640   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      14.670 -25.410   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      16.004 -24.640   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.004 -23.100   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      17.338 -22.330   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      18.672 -23.100   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      20.005 -22.330   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      20.775 -23.664   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      19.235 -20.996   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      17.695 -20.996   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      16.925 -19.663   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      15.385 -19.663   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      14.615 -20.996   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      14.615 -18.329   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      13.075 -18.329   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      12.305 -16.995   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      10.765 -16.995   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       9.995 -18.329   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       9.995 -15.662   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       8.455 -15.662   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.685 -14.328   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       6.145 -14.328   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       5.375 -15.662   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       5.375 -12.994   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      21.339 -21.560   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      21.339 -20.020   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      22.879 -20.020   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      19.799 -20.020   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      19.029 -18.686   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      17.489 -18.686   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      16.719 -17.353   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      15.179 -17.353   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      17.489 -16.019   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      16.719 -14.685   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      17.489 -13.352   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      16.719 -12.018   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      15.179 -12.018   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      17.489 -10.684   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      16.719  -9.351   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      17.489  -8.017   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      16.719  -6.683   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      15.179  -6.683   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      17.489  -5.350   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      21.339 -18.480   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0      20.093 -17.575   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0      20.569 -16.110   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0      22.109 -16.110   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0      23.014 -14.864   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0      24.260 -15.769   0.000  0.00  0.00           C+0
HETATM   84  O   UNK     0      21.768 -13.959   0.000  0.00  0.00           O+0
HETATM   85  C   UNK     0      23.919 -13.618   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      25.451 -13.779   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      26.356 -12.533   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      27.888 -12.694   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      28.514 -14.101   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      28.793 -11.449   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      30.324 -11.610   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0      31.230 -10.364   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0      32.761 -10.525   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0      33.387 -11.932   0.000  0.00  0.00           C+0
HETATM   95  C   UNK     0      33.666  -9.279   0.000  0.00  0.00           C+0
HETATM   96  C   UNK     0      35.198  -9.440   0.000  0.00  0.00           C+0
HETATM   97  C   UNK     0      36.103  -8.194   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      37.635  -8.355   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      38.540  -7.109   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      38.261  -9.762   0.000  0.00  0.00           C+0
HETATM  101  O   UNK     0      22.585 -17.575   0.000  0.00  0.00           O+0
HETATM  102  O   UNK     0      18.672 -24.640   0.000  0.00  0.00           O+0
HETATM  103  C   UNK     0      17.338 -25.410   0.000  0.00  0.00           C+0
HETATM  104  C   UNK     0      18.061 -26.770   0.000  0.00  0.00           C+0
HETATM  105  C   UNK     0      16.615 -26.770   0.000  0.00  0.00           C+0
HETATM  106  C   UNK     0      17.431 -28.076   0.000  0.00  0.00           C+0
HETATM  107  C   UNK     0      16.708 -29.435   0.000  0.00  0.00           C+0
HETATM  108  C   UNK     0      17.524 -30.741   0.000  0.00  0.00           C+0
HETATM  109  C   UNK     0      19.063 -30.688   0.000  0.00  0.00           C+0
HETATM  110  C   UNK     0      16.801 -32.101   0.000  0.00  0.00           C+0
HETATM  111  C   UNK     0      17.617 -33.407   0.000  0.00  0.00           C+0
HETATM  112  C   UNK     0      16.894 -34.767   0.000  0.00  0.00           C+0
HETATM  113  C   UNK     0      17.710 -36.073   0.000  0.00  0.00           C+0
HETATM  114  C   UNK     0      19.249 -36.019   0.000  0.00  0.00           C+0
HETATM  115  C   UNK     0      16.987 -37.433   0.000  0.00  0.00           C+0
HETATM  116  C   UNK     0      17.803 -38.739   0.000  0.00  0.00           C+0
HETATM  117  C   UNK     0      17.080 -40.098   0.000  0.00  0.00           C+0
HETATM  118  C   UNK     0      17.896 -41.404   0.000  0.00  0.00           C+0
HETATM  119  C   UNK     0      19.435 -41.351   0.000  0.00  0.00           C+0
HETATM  120  C   UNK     0      17.173 -42.764   0.000  0.00  0.00           C+0
HETATM  121  C   UNK     0      12.003 -25.410   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29  121                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   33                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33   30   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36  121                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38  103                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41  102                                                  
CONECT   41   40   42   43   59                                             
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59   41   60                                                       
CONECT   60   59   61   62   78                                             
CONECT   61   60                                                            
CONECT   62   60   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65                                                       
CONECT   65   64   66   67                                                  
CONECT   66   65                                                            
CONECT   67   65   68                                                       
CONECT   68   67   69                                                       
CONECT   69   68   70                                                       
CONECT   70   69   71   72                                                  
CONECT   71   70                                                            
CONECT   72   70   73                                                       
CONECT   73   72   74                                                       
CONECT   74   73   75                                                       
CONECT   75   74   76   77                                                  
CONECT   76   75                                                            
CONECT   77   75                                                            
CONECT   78   60   79  101                                                  
CONECT   79   78   80                                                       
CONECT   80   79   81                                                       
CONECT   81   80   82  101                                                  
CONECT   82   81   83   84   85                                             
CONECT   83   82                                                            
CONECT   84   82                                                            
CONECT   85   82   86                                                       
CONECT   86   85   87                                                       
CONECT   87   86   88                                                       
CONECT   88   87   89   90                                                  
CONECT   89   88                                                            
CONECT   90   88   91                                                       
CONECT   91   90   92                                                       
CONECT   92   91   93                                                       
CONECT   93   92   94   95                                                  
CONECT   94   93                                                            
CONECT   95   93   96                                                       
CONECT   96   95   97                                                       
CONECT   97   96   98                                                       
CONECT   98   97   99  100                                                  
CONECT   99   98                                                            
CONECT  100   98                                                            
CONECT  101   81   78                                                       
CONECT  102   40  103                                                       
CONECT  103  102   37  104  105                                             
CONECT  104  103                                                            
CONECT  105  103  106                                                       
CONECT  106  105  107                                                       
CONECT  107  106  108                                                       
CONECT  108  107  109  110                                                  
CONECT  109  108                                                            
CONECT  110  108  111                                                       
CONECT  111  110  112                                                       
CONECT  112  111  113                                                       
CONECT  113  112  114  115                                                  
CONECT  114  113                                                            
CONECT  115  113  116                                                       
CONECT  116  115  117                                                       
CONECT  117  116  118                                                       
CONECT  118  117  119  120                                                  
CONECT  119  118                                                            
CONECT  120  118                                                            
CONECT  121   35   28                                                       
MASTER        0    0    0    0    0    0    0    0  121    0  246    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₁₄H₂₁₆O₇

Average Mass

1698.9750 Da

Monoisotopic Mass

1697.65461 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCC\C=C\CCCCCCCCCCCCCCCCCC1=CC(OC)=C(O)C(OC2CCC(OC2(C)CCCC(C)CCCC(C)CCCC(C)C)C(C)(CCCC(C)CCCC(C)CCCC(C)C)OC(C)(CCCC(C)CCCC(C)CCCC(C)C)C2CCC(O2)C(C)(O)CCCC(C)CCCC(C)CCCC(C)C)=C1

InChI Identifier

InChI=1S/C114H216O7/c1-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-47-80-103-89-104(117-22)110(115)105(90-103)118-107-83-84-109(120-112(107,19)86-57-77-100(15)73-53-69-96(11)65-49-61-92(4)5)114(21,88-59-79-102(17)75-55-71-98(13)67-51-63-94(8)9)121-113(20,87-58-78-101(16)74-54-70-97(12)66-50-62-93(6)7)108-82-81-106(119-108)111(18,116)85-56-76-99(14)72-52-68-95(10)64-48-60-91(2)3/h30-31,89-102,106-109,115-116H,23-29,32-88H2,1-22H3/b31-30+

InChI Key

ATXHWUFKYBJYEE-NVQSTNCTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol (NP0318262)

MOL for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

3D MOL for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

3D SDF for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

3D-SDF for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

PDB for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

3D PDB for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

SMILES for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

INCHI for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

Structure for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)

3D Structure for NP0318262 (4-[(18e)-heptacos-18-en-1-yl]-2-({6-[2-({2-[5-(2-hydroxy-6,10,14-trimethylpentadecan-2-yl)oxolan-2-yl]-6,10,14-trimethylpentadecan-2-yl}oxy)-6,10,14-trimethylpentadecan-2-yl]-2-methyl-2-(4,8,12-trimethyltridecyl)oxan-3-yl}oxy)-6-methoxyphenol)