NP-MRD: Showing NP-Card for Octadecyl acetate (NP0075625)

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Record Information

Version

2.0

Created at

2022-04-28 20:53:01 UTC

Updated at

2022-04-28 20:53:01 UTC

NP-MRD ID

NP0075625

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Octadecyl acetate

Description

Octadecyl acetate belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Octadecyl acetate is found in Rhodiola rosea L. and Zinnia elegans. Octadecyl acetate was first documented in 2005 (PMID: 16365712). Based on a literature review a small amount of articles have been published on Octadecyl acetate (PMID: 21573864) (PMID: 33081080) (PMID: 28178286) (PMID: 16222792).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 62 61  0  0  0  0  0  0  0  0999 V2000
   -7.2058    1.9973   -2.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5705    2.4033   -1.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5402    1.8327   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5515    0.3419   -0.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5603   -0.2575    0.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1914    0.2443   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2416   -0.4290    0.9621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8740    0.0827    0.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8540   -0.4820    1.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920   -1.9635    1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2326   -2.5184    2.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331   -2.0399    2.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651   -2.4112    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4889   -1.9590    0.4521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6438   -0.4900    0.5496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0898   -0.0743    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4726   -0.4784   -1.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558   -0.1940   -1.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3560    1.0684   -1.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7217    1.9214   -0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2344    3.3017   -0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6132    1.5047    0.6161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4937    0.9325   -3.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7833    2.5956   -3.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1228    2.0870   -3.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5334    1.9204   -1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5860    3.5007   -1.4700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5543    2.2581   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8310    2.1690    0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5826   -0.0026   -0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2597    0.0177   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5905   -1.3716    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8479    0.1053    1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0962    1.3401    0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8402   -0.0438   -1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6047   -0.1003    1.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3477   -1.5133    0.8963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6068   -0.2420   -0.3917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8400    1.2000    0.6037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1999   -0.2085    2.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1400    0.0080    1.4515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5889   -2.2428    0.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954   -2.4017    1.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720   -2.2326    3.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135   -3.6362    2.4147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2747   -2.5541    2.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620   -0.9491    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037   -3.5136    0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3768   -1.9751    0.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6600   -2.3548   -0.5948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1646   -2.5417    1.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9981   -0.0190   -0.2515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2818   -0.0487    1.4867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543   -0.4729    1.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1269    1.0588    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7622   -0.0731   -1.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2804   -1.6016   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5147   -0.9427   -1.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9109   -0.5674   -2.6473 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2568    3.4490   -0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943    3.5668   -1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5757    3.9987   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 21 60  1  0
 21 61  1  0
 21 62  1  0
M  END

  Mrv1652304282222532D          

 22 21  0  0  0  0            999 V2000
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0075625

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCOC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3

> <INCHI_KEY>
OIZXRZCQJDXPFO-UHFFFAOYSA-N

> <FORMULA>
C20H40O2

> <MOLECULAR_WEIGHT>
312.538

> <EXACT_MASS>
312.302830528

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
42.9592003207332

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
octadecyl acetate

> <ALOGPS_LOGP>
8.86

> <JCHEM_LOGP>
7.470408666333334

> <ALOGPS_LOGS>
-7.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.993812176968582

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
95.70039999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.34e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
acetic acid, octadecyl ester

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      20.790  10.463   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      22.124  12.773   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      30.126  12.773   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      46.130  12.773   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    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                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
Octadecyl acetic acid	Generator

Chemical Formula

C₂₀H₄₀O₂

Average Mass

312.5380 Da

Monoisotopic Mass

312.30283 Da

IUPAC Name

octadecyl acetate

Traditional Name

acetic acid, octadecyl ester

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCOC(C)=O

InChI Identifier

InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3

InChI Key

OIZXRZCQJDXPFO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Rhodiola rosea	Plant	KNApSAcK
Zinnia elegans	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohol esters

Direct Parent

Fatty alcohol esters

Alternative Parents

Substituents

Fatty alcohol ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Wax monoesters (LMFA07010398 )

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	8.86	ALOGPS
logP	7.47	ChemAxon
logS	-7.1	ALOGPS
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	95.7 m³·mol⁻¹	ChemAxon
Polarizability	42.96 Å³	ChemAxon
Number of Rings	0	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

C00037576

Chemspider ID

63160

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

69968

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

El-Sayed AM, Mitchell VJ, Manning LA, Suckling DM: New sex pheromone blend for the lightbrown apple moth, Epiphyas postvittana. J Chem Ecol. 2011 Jun;37(6):640-6. doi: 10.1007/s10886-011-9964-x. Epub 2011 May 15. [PubMed:21573864 ]
do Amaral SC, Santos AV, da Cruz Schneider MP, da Silva JKR, Xavier LP: Determination of Volatile Organic Compounds and Antibacterial Activity of the Amazonian Cyanobacterium Synechococcus sp. Strain GFB01. Molecules. 2020 Oct 16;25(20). pii: molecules25204744. doi: 10.3390/molecules25204744. [PubMed:33081080 ]
Quero C, Sarto I Monteys V, Rosell G, Puigmarti M, Guerrero A: Sexual communication in castniid moths: Males mark their territories and appear to bear all chemical burden. PLoS One. 2017 Feb 8;12(2):e0171166. doi: 10.1371/journal.pone.0171166. eCollection 2017. [PubMed:28178286 ]
Schlamp KK, Gries R, Khaskin G, Brown K, Khaskin E, Judd GJ, Gries G: Pheromone components from body scales of female Anarsia lineatella induce contacts by conspecific males. J Chem Ecol. 2005 Dec;31(12):2897-911. doi: 10.1007/s10886-005-8402-3. Epub 2005 Dec 18. [PubMed:16365712 ]
Tschuch G, Lindemann P, Niesen A, Csuk R, Moritz G: A novel long-chained acetate in the defensive secretion of thrips. J Chem Ecol. 2005 Jul;31(7):1555-65. doi: 10.1007/s10886-005-5797-9. [PubMed:16222792 ]

Showing NP-Card for Octadecyl acetate (NP0075625)

MOL for NP0075625 (Octadecyl acetate)

3D MOL for NP0075625 (Octadecyl acetate)

3D SDF for NP0075625 (Octadecyl acetate)

3D-SDF for NP0075625 (Octadecyl acetate)

PDB for NP0075625 (Octadecyl acetate)

3D PDB for NP0075625 (Octadecyl acetate)

SMILES for NP0075625 (Octadecyl acetate)

INCHI for NP0075625 (Octadecyl acetate)

Structure for NP0075625 (Octadecyl acetate)

3D Structure for NP0075625 (Octadecyl acetate)