NP-MRD: Showing NP-Card for (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate (NP0311047)

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Record Information

Version

2.0

Created at

2022-09-11 06:46:36 UTC

Updated at

2022-09-11 06:46:36 UTC

NP-MRD ID

NP0311047

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate

Description

Lutein dimyristate belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate is found in Tagetes erecta, Arnica montana and Solanum tuberosum. (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate was first documented in 2018 (PMID: 30007736). Based on a literature review a small amount of articles have been published on Lutein dimyristate (PMID: 33671129).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309112208462D          

 72 73  0  0  1  0            999 V2000
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 17 72  1  0  0  0  0
M  END


  Mrv1652309112208462D          

 72 73  0  0  1  0            999 V2000
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 42 43  2  0  0  0  0
 44 43  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  6  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
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 65 66  1  0  0  0  0
 44 66  1  0  0  0  0
 66 67  1  0  0  0  0
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 69 72  1  0  0  0  0
 17 72  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0311047

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCC)C(C)(C)C1

> <INCHI_IDENTIFIER>
InChI=1S/C68H108O4/c1-13-15-17-19-21-23-25-27-29-31-33-45-65(69)71-61-51-59(7)63(67(9,10)53-61)49-47-57(5)43-37-41-55(3)39-35-36-40-56(4)42-38-44-58(6)48-50-64-60(8)52-62(54-68(64,11)12)72-66(70)46-34-32-30-28-26-24-22-20-18-16-14-2/h35-44,47-51,61-63H,13-34,45-46,52-54H2,1-12H3/b36-35+,41-37+,42-38+,49-47+,50-48+,55-39+,56-40+,57-43+,58-44+/t61-,62+,63-/m0/s1

> <INCHI_KEY>
ZTJVXDHNXWQBFR-GQIBHBSTSA-N

> <FORMULA>
C68H108O4

> <MOLECULAR_WEIGHT>
989.608

> <EXACT_MASS>
988.824761958

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
180

> <JCHEM_AVERAGE_POLARIZABILITY>
133.07451246116665

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate

> <JCHEM_LOGP>
20.614042475333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.746196992613635

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
323.8422

> <JCHEM_ROTATABLE_BOND_COUNT>
38

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate

> <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     -40.010 -18.480   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -38.677 -17.710   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -38.677 -16.170   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -37.343 -15.400   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -37.343 -13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -36.009 -13.090   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -36.009 -11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -34.676 -10.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -34.676  -9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -33.342  -8.470   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -33.342  -6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -32.008  -6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -32.008  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -30.675  -3.850   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -29.341  -4.620   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0     -30.675  -2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0     -29.341  -1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -29.341  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -28.007   0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -28.007   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -26.674  -0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -25.340   0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -24.006  -0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -22.673   0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -22.673   2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -21.339  -0.000   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -20.005   0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -18.672  -0.000   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -17.338   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -17.338   2.310   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -16.004  -0.000   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -14.670   0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -12.003   0.770   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -10.669  -1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -9.336   0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.668   0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.667   3.080   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -4.001   5.390   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       1.334   5.390   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       2.667   3.080   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       6.668   5.390   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       9.336   5.390   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      12.003   5.390   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      14.670   5.390   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      17.338   5.390   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      20.005   5.390   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       0.000   3.080   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      -0.611   0.950   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0      -2.057   0.950   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0     -26.674  -1.540   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0     -25.157  -1.273   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0     -26.147  -2.987   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0     -28.007  -2.310   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   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   72                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   69                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   66                                                  
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49   65                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   52                                                  
CONECT   51   50                                                            
CONECT   52   50   53                                                       
CONECT   53   52   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56                                                       
CONECT   56   55   57                                                       
CONECT   57   56   58                                                       
CONECT   58   57   59                                                       
CONECT   59   58   60                                                       
CONECT   60   59   61                                                       
CONECT   61   60   62                                                       
CONECT   62   61   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63                                                            
CONECT   65   48   66                                                       
CONECT   66   65   44   67   68                                             
CONECT   67   66                                                            
CONECT   68   66                                                            
CONECT   69   21   70   71   72                                             
CONECT   70   69                                                            
CONECT   71   69                                                            
CONECT   72   69   17                                                       
MASTER        0    0    0    0    0    0    0    0   72    0  146    0
END

View in JSmol

Synonyms

Value	Source
Lutein dimyristic acid	Generator

Chemical Formula

C₆₈H₁₀₈O₄

Average Mass

989.6080 Da

Monoisotopic Mass

988.82476 Da

IUPAC Name

(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC(=O)O[C@@H]1CC(C)=C(\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H]2C(C)=C[C@@H](CC2(C)C)OC(=O)CCCCCCCCCCCCC)C(C)(C)C1

InChI Identifier

InChI=1S/C68H108O4/c1-13-15-17-19-21-23-25-27-29-31-33-45-65(69)71-61-51-59(7)63(67(9,10)53-61)49-47-57(5)43-37-41-55(3)39-35-36-40-56(4)42-38-44-58(6)48-50-64-60(8)52-62(54-68(64,11)12)72-66(70)46-34-32-30-28-26-24-22-20-18-16-14-2/h35-44,47-51,61-63H,13-34,45-46,52-54H2,1-12H3/b36-35+,41-37+,42-38+,49-47+,50-48+,55-39+,56-40+,57-43+,58-44+/t61-,62+,63-/m0/s1

InChI Key

ZTJVXDHNXWQBFR-GQIBHBSTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
African marigold	LOTUS Database	35616633
Arnica montana	LOTUS Database	35616633
Solanum tuberosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Fatty acid ester
Fatty acyl
Dicarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

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
logP	20.61	ChemAxon
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	52.6 Å²	ChemAxon
Rotatable Bond Count	38	ChemAxon
Refractivity	323.84 m³·mol⁻¹	ChemAxon
Polarizability	133.07 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9438196

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11263184

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lara-Abia S, Lobo-Rodrigo G, Welti-Chanes J, Cano MP: Carotenoid and Carotenoid Ester Profile and Their Deposition in Plastids in Fruits of New Papaya (Carica papaya L.) Varieties from the Canary Islands. Foods. 2021 Feb 17;10(2). pii: foods10020434. doi: 10.3390/foods10020434. [PubMed:33671129 ]
Irias-Mata A, Jimenez VM, Steingass CB, Schweiggert RM, Carle R, Esquivel P: Carotenoids and xanthophyll esters of yellow and red nance fruits (Byrsonima crassifolia (L.) Kunth) from Costa Rica. Food Res Int. 2018 Sep;111:708-714. doi: 10.1016/j.foodres.2018.05.063. Epub 2018 May 26. [PubMed:30007736 ]
LOTUS database [Link]

Showing NP-Card for (1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate (NP0311047)

MOL for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

3D MOL for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

3D SDF for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

3D-SDF for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

PDB for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

3D PDB for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

SMILES for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

INCHI for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

Structure for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)

3D Structure for NP0311047 ((1r)-3,5,5-trimethyl-4-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-[(1r,4r)-2,6,6-trimethyl-4-(tetradecanoyloxy)cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]cyclohex-3-en-1-yl tetradecanoate)