NP-MRD: Showing NP-Card for 11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one (NP0302007)

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Record Information

Version

2.0

Created at

2022-09-10 15:17:52 UTC

Updated at

2022-09-10 15:17:52 UTC

NP-MRD ID

NP0302007

Secondary Accession Numbers

None

Natural Product Identification

Common Name

11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

Description

11-Hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]Tetracosa-2,4,6,14-tetraen-9-one belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton. 11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one is found in Strychnos henningsii. 11-Hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]Tetracosa-2,4,6,14-tetraen-9-one is a very strong basic compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004261502072D          

 28 34  0  0  0  0            999 V2000
    6.5922   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9011    0.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302    1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4589    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6078   -2.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996   -1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245   -1.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202   -1.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2798   -0.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8504   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025    1.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    1.7940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9577    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691   -0.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 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
  3 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
  8 28  1  0  0  0  0
 23 28  1  0  0  0  0
M  END


  Mrv1533004261502072D          

 28 34  0  0  0  0            999 V2000
    6.5922   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9011    0.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5302    1.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4589    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4003    0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001   -0.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -0.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774   -0.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556   -1.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6078   -2.3797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996   -1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245   -1.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8202   -1.8101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2798   -0.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8504   -0.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    0.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0133    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025    1.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    1.7940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    1.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000    0.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9577    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2774    0.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5331    0.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4691   -0.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1494   -0.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937   -0.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  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  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  3 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
  3 22  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
  8 28  1  0  0  0  0
 23 28  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0302007

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC12CC3C4C5N6C7=CC=CC=C7C15CCN2CC3=CCOC4(O)CC6=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H24N2O4/c1-27-22-10-14-13-6-9-28-21(26)11-17(25)24-16-5-3-2-4-15(16)20(22,19(24)18(14)21)7-8-23(22)12-13/h2-6,14,18-19,26H,7-12H2,1H3

> <INCHI_KEY>
DEPMVQLGZKMEJW-UHFFFAOYSA-N

> <FORMULA>
C22H24N2O4

> <MOLECULAR_WEIGHT>
380.444

> <EXACT_MASS>
380.173607261

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
39.19658941230283

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

> <ALOGPS_LOGP>
1.53

> <JCHEM_LOGP>
1.0667499809999996

> <ALOGPS_LOGS>
-1.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.926411808458479

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.534471246056327

> <JCHEM_PKA_STRONGEST_BASIC>
7.220711707132583

> <JCHEM_POLAR_SURFACE_AREA>
62.24

> <JCHEM_REFRACTIVITY>
102.0971

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.39e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0      12.305  -0.600   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      11.015   0.466   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      10.323   1.896   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.057   1.539   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.947   0.571   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.200  -0.654   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.648  -0.422   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       8.731  -1.668   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       9.437  -3.073   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.601  -4.442   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.013  -3.146   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.992  -1.876   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.731  -3.379   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      13.589  -1.793   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      14.654  -0.564   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.358   0.968   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.092   1.859   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.138   3.437   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      10.433   3.349   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0       8.796   3.601   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.942   2.281   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.960   1.010   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.388   0.452   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.118   1.323   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.728   0.658   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.609  -0.877   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.879  -1.748   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.268  -1.084   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   19   22                                             
CONECT    4    3    5                                                       
CONECT    5    4    6   17                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8   22                                                  
CONECT    8    7    9   28                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11    6   13   14                                             
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16    5   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18    3   20                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21    3    7   23                                             
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27    8   23                                                  
MASTER        0    0    0    0    0    0    0    0   28    0   68    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₄N₂O₄

Average Mass

380.4440 Da

Monoisotopic Mass

380.17361 Da

IUPAC Name

11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

Traditional Name

11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one

CAS Registry Number

Not Available

SMILES

COC12CC3C4C5N6C7=CC=CC=C7C15CCN2CC3=CCOC4(O)CC6=O

InChI Identifier

InChI=1S/C22H24N2O4/c1-27-22-10-14-13-6-9-28-21(26)11-17(25)24-16-5-3-2-4-15(16)20(22,19(24)18(14)21)7-8-23(22)12-13/h2-6,14,18-19,26H,7-12H2,1H3

InChI Key

DEPMVQLGZKMEJW-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Strychnos henningsii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as strychnos alkaloids. These are alkaloids having a core structure based on the strychnan, stemmadenine (seco-curan), or the akuammicine (curan) skeleton.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Strychnos alkaloids

Sub Class

Not Available

Direct Parent

Strychnos alkaloids

Alternative Parents

Substituents

Strychnan skeleton
Akuammicine-skeleton
Stemmadenine-skeleton
Carbazole
Quinolidine
Indole or derivatives
Indolizidine
Delta-lactam
Piperidinone
Piperidine
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Hemiacetal
Lactam
Hemiaminal
Azacycle
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Organonitrogen compound
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Carbonyl group
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	1.53	ALOGPS
logP	1.07	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	11.53	ChemAxon
pKa (Strongest Basic)	7.22	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	62.24 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	102.1 m³·mol⁻¹	ChemAxon
Polarizability	39.2 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one (NP0302007)

MOL for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

3D MOL for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

3D SDF for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

3D-SDF for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

PDB for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

3D PDB for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

SMILES for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

INCHI for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

Structure for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)

3D Structure for NP0302007 (11-hydroxy-18-methoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2,4,6,14-tetraen-9-one)