NP-MRD: Showing NP-Card for (1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione (NP0185131)

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Record Information

Version

2.0

Created at

2022-09-04 00:26:43 UTC

Updated at

2022-09-04 00:26:43 UTC

NP-MRD ID

NP0185131

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione

Description

(1R,2S,5S,10R,11R,12Z,16S)-1,2,15-trihydroxy-12-[(4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1E)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]Heptadeca-3(8),14-diene-7,9,13-trione belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively. Based on a literature review very few articles have been published on (1R,2S,5S,10R,11R,12Z,16S)-1,2,15-trihydroxy-12-[(4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1E)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]Heptadeca-3(8),14-diene-7,9,13-trione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042202262D          

 37 40  0  0  1  0            999 V2000
    2.0270    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1248   -0.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023   -0.2844    0.0000 O   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


  Mrv1652309042202262D          

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    0.2849   -1.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1716   -2.4751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4179   -1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9911   -2.3798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  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
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  6  0  0  0
 20 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
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  1  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 28 32  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 18 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37  8  1  6  0  0  0
 15 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0185131

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C=C\C=C\C(\O)=C1/[C@H]2[C@](C)(O[C@]3(O)[C@@]2(C)C(=O)C2=C(N[C@@H](CC2=O)\C=C\C)[C@]3(C)O)C(O)=C(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H33NO8/c1-7-9-10-12-16(30)18-20(32)14(3)23(33)26(5)21(18)25(4)24(34)19-17(31)13-15(11-8-2)29-22(19)27(6,35)28(25,36)37-26/h7-12,15,21,29-30,33,35-36H,13H2,1-6H3/b9-7+,11-8+,12-10+,18-16+/t15-,21-,25-,26+,27+,28-/m1/s1

> <INCHI_KEY>
FBUMTPMBZLYMGG-QEOHZBGUSA-N

> <FORMULA>
C28H33NO8

> <MOLECULAR_WEIGHT>
511.571

> <EXACT_MASS>
511.220617027

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
52.99198528324287

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,5S,10R,11R,12Z,16S)-1,2,15-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1E)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3(8),14-diene-7,9,13-trione

> <JCHEM_LOGP>
2.3393457926666676

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.766711657529873

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.448756415418254

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9972842883322075

> <JCHEM_POLAR_SURFACE_AREA>
153.39000000000001

> <JCHEM_REFRACTIVITY>
142.1232

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,5S,10R,11R,12Z,16S)-1,2,15-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1E)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-3(8),14-diene-7,9,13-trione

> <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       3.784   1.445   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.251   1.301   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.609  -0.099   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.075  -0.243   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.566  -1.643   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.100  -1.787   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.991  -0.531   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.741  -3.186   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.275  -3.331   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -5.166  -2.075   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -4.917  -4.730   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.450  -4.875   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.025  -5.986   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -4.667  -7.386   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.492  -5.842   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.984  -7.301   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -1.359  -6.885   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.017  -6.130   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.127  -7.663   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.442  -6.622   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.645  -7.583   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.705  -7.974   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.598  -5.604   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.295  -4.094   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.450  -3.077   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       3.147  -1.567   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.910  -3.569   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.213  -5.078   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.673  -5.570   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.828  -4.553   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.288  -5.045   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0       4.058  -6.096   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0       0.835  -3.602   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.532  -2.093   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -0.320  -4.620   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.780  -3.150   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.850  -4.442   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    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   37                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17   37                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   20   35                                             
CONECT   19   18                                                            
CONECT   20   18   21   22   23                                             
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   20   24   32                                                  
CONECT   24   23   25   33                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   32                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   28   23                                                       
CONECT   33   24   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   18   36   37                                             
CONECT   36   35                                                            
CONECT   37   35    8   15                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₃NO₈

Average Mass

511.5710 Da

Monoisotopic Mass

511.22062 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C=C\C=C\C(\O)=C1/[C@H]2[C@](C)(O[C@]3(O)[C@@]2(C)C(=O)C2=C(N[C@@H](CC2=O)\C=C\C)[C@]3(C)O)C(O)=C(C)C1=O

InChI Identifier

InChI=1S/C28H33NO8/c1-7-9-10-12-16(30)18-20(32)14(3)23(33)26(5)21(18)25(4)24(34)19-17(31)13-15(11-8-2)29-22(19)27(6,35)28(25,36)37-26/h7-12,15,21,29-30,33,35-36H,13H2,1-6H3/b9-7+,11-8+,12-10+,18-16+/t15-,21-,25-,26+,27+,28-/m1/s1

InChI Key

FBUMTPMBZLYMGG-QEOHZBGUSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

O-quinomethanes

Alternative Parents

Substituents

O-quinomethane
Cyclohexenone
Tetrahydropyridine
Oxolane
Tertiary alcohol
Vinylogous acid
Vinylogous amide
Hemiacetal
Secondary aliphatic amine
Enamine
Enol
Polyol
Secondary amine
Oxacycle
Azacycle
Organoheterocyclic compound
Organonitrogen compound
Hydrocarbon derivative
Alcohol
Amine
Organic nitrogen compound
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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

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

31134960

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 (1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione (NP0185131)

MOL for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

3D MOL for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

3D SDF for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

3D-SDF for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

PDB for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

3D PDB for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

SMILES for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

INCHI for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

Structure for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)

3D Structure for NP0185131 ((1r,2s,5s,10r,11r,12z,16s)-1,2,15-trihydroxy-12-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-2,10,14,16-tetramethyl-5-[(1e)-prop-1-en-1-yl]-17-oxa-4-azatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-3(8),14-diene-7,9,13-trione)