NP-MRD: Showing NP-Card for [(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate (NP0198739)

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Record Information

Version

1.0

Created at

2022-09-04 17:14:36 UTC

Updated at

2022-09-04 17:14:36 UTC

NP-MRD ID

NP0198739

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate

Description

Pacifidine belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. [(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate is found in Delphinium elatum. Based on a literature review very few articles have been published on Pacifidine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042219142D          

 36 42  0  0  1  0            999 V2000
    5.4414    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309042219142D          

 36 42  0  0  1  0            999 V2000
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    2.1861    3.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    2.2238    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4135    2.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2890    1.3371    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  1  0  0  0
 11 10  1  1  0  0  0
  6 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 30  1  6  0  0  0
 12 31  1  0  0  0  0
 31 32  1  0  0  0  0
  4 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  6  0  0  0
 36 34  1  1  0  0  0
 17 36  1  0  0  0  0
 12 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198739

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2C)[C@@]1(O)[C@@H](C)[C@H]2[C@]33[C@@H]1N=C[C@]2(COC(=O)C1=CC=CC=C1N)CC[C@@H]3C

> <INCHI_IDENTIFIER>
InChI=1S/C30H40N2O4/c1-15-12-28(34)23-17(3)20(15)11-21(23)29-16(2)9-10-27(13-32-26(29)30(28,35)18(4)24(27)29)14-36-25(33)19-7-5-6-8-22(19)31/h5-8,13,15-18,20-21,23-24,26,34-35H,9-12,14,31H2,1-4H3/t15-,16-,17-,18-,20+,21+,23-,24+,26-,27-,28+,29+,30+/m0/s1

> <INCHI_KEY>
TXROOAIWZBNYPU-FJLRKGBNSA-N

> <FORMULA>
C30H40N2O4

> <MOLECULAR_WEIGHT>
492.66

> <EXACT_MASS>
492.298807776

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.88902591346532

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1R,2R,3S,4S,5R,6S,8R,9R,10S,13S,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-en-13-yl]methyl 2-aminobenzoate

> <JCHEM_LOGP>
3.932443285666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.23567646312415

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.654687784812296

> <JCHEM_PKA_STRONGEST_BASIC>
5.640817336562881

> <JCHEM_POLAR_SURFACE_AREA>
105.14

> <JCHEM_REFRACTIVITY>
137.6247

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(1R,2R,3S,4S,5R,6S,8R,9R,10S,13S,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-en-13-yl]methyl 2-aminobenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      10.157   4.182   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.684   3.734   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.481   4.788   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.928   4.389   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       5.904   5.929   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.113   2.894   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.367   1.604   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.165   0.077   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.255   2.132   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.715   0.828   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.246   1.889   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.707   2.625   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.983   1.050   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.465   0.633   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.951  -0.119   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.456   0.353   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.048   1.895   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.408   1.394   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.703  -0.118   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.459  -1.129   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.915  -0.628   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.165  -2.640   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.326  -3.651   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.032  -5.163   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.424  -5.663   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.586  -4.652   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.292  -3.141   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      -2.454  -2.130   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0       0.425   3.353   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0       1.297   4.702   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0       3.066   4.471   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.159   4.786   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.081   6.324   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.258   4.151   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.772   4.555   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.406   2.496   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6   32                                             
CONECT    5    4                                                            
CONECT    6    4    7   11                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    2   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10    6   12                                                  
CONECT   12   11   13   31   36                                             
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   29   36                                             
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   27                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   22   28                                                  
CONECT   28   27                                                            
CONECT   29   17   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   12   32                                                  
CONECT   32   31    4   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   17   12                                                  
MASTER        0    0    0    0    0    0    0    0   36    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀N₂O₄

Average Mass

492.6600 Da

Monoisotopic Mass

492.29881 Da

IUPAC Name

[(1R,2R,3S,4S,5R,6S,8R,9R,10S,13S,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-en-13-yl]methyl 2-aminobenzoate

Traditional Name

[(1R,2R,3S,4S,5R,6S,8R,9R,10S,13S,16S,17S,18S)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-en-13-yl]methyl 2-aminobenzoate

CAS Registry Number

Not Available

SMILES

C[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2C)[C@@]1(O)[C@@H](C)[C@H]2[C@]33[C@@H]1N=C[C@]2(COC(=O)C1=CC=CC=C1N)CC[C@@H]3C

InChI Identifier

InChI=1S/C30H40N2O4/c1-15-12-28(34)23-17(3)20(15)11-21(23)29-16(2)9-10-27(13-32-26(29)30(28,35)18(4)24(27)29)14-36-25(33)19-7-5-6-8-22(19)31/h5-8,13,15-18,20-21,23-24,26,34-35H,9-12,14,31H2,1-4H3/t15-,16-,17-,18-,20+,21+,23-,24+,26-,27-,28+,29+,30+/m0/s1

InChI Key

TXROOAIWZBNYPU-FJLRKGBNSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Delphinium elatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Benzoic acid esters

Alternative Parents

Substituents

Benzoate ester
Aminobenzoic acid or derivatives
Aniline or substituted anilines
Benzoyl
Tetrahydropyridine
Azepine
Vinylogous amide
Tertiary alcohol
Cyclic alcohol
Carboxylic acid ester
Amino acid or derivatives
1,2-diol
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Imine
Amine
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	3.93	ChemAxon
pKa (Strongest Acidic)	12.65	ChemAxon
pKa (Strongest Basic)	5.64	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	137.62 m³·mol⁻¹	ChemAxon
Polarizability	54.89 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101630878

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate (NP0198739)

MOL for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

3D MOL for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

3D SDF for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

3D-SDF for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

PDB for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

3D PDB for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

SMILES for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

INCHI for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

Structure for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)

3D Structure for NP0198739 ([(1r,2r,3s,4s,5r,6s,8r,9r,10s,13s,16s,17s,18s)-8,9-dihydroxy-4,6,16,18-tetramethyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-en-13-yl]methyl 2-aminobenzoate)