NP-MRD: Showing NP-Card for 8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone (NP0258891)

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Record Information

Version

2.0

Created at

2022-09-08 00:34:04 UTC

Updated at

2022-09-08 00:34:05 UTC

NP-MRD ID

NP0258891

Secondary Accession Numbers

None

Natural Product Identification

Common Name

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

Description

8,11,16,20,26,27-Hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]Heptacosa-5(14),7,9,11,16,19(24),20,22-octaene-3,6,13,18,25-pentone belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. 8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone is found in Talaromyces purpureogenus. 8,11,16,20,26,27-Hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]Heptacosa-5(14),7,9,11,16,19(24),20,22-octaene-3,6,13,18,25-pentone is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 04121512252D          

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M  END

     RDKit          3D

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M  END


  Mrv0541 04121512252D          

 40 46  0  0  0  0            999 V2000
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  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 21  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 25  1  0  0  0  0
 17 26  1  0  0  0  0
 26 27  2  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 38  1  0  0  0  0
 38 39  1  0  0  0  0
 26 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0258891

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O)=C2C(=O)C3=C(O)C4C(O)C5(O)C(C(=O)CC35C(=O)C2=C1)C1=C4C(=O)C2=C(O)C=C(C)C(O)=C2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H20O11/c1-7-3-9-13(10(30)4-7)24(36)20-25(37)18-15-16(19-12(32)6-28(20,26(9)38)29(19,40)27(18)39)23(35)17-14(22(15)34)11(31)5-8(2)21(17)33/h3-5,18-19,27,30-31,33,37,39-40H,6H2,1-2H3

> <INCHI_KEY>
PKFZUNQTCZISSQ-UHFFFAOYSA-N

> <FORMULA>
C29H20O11

> <MOLECULAR_WEIGHT>
544.468

> <EXACT_MASS>
544.100561464

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
52.36960814383417

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

> <ALOGPS_LOGP>
1.77

> <JCHEM_LOGP>
1.8334842730000007

> <ALOGPS_LOGS>
-3.22

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.130550247587574

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.7665201032491122

> <JCHEM_PKA_STRONGEST_BASIC>
-3.805580281083331

> <JCHEM_POLAR_SURFACE_AREA>
206.72999999999996

> <JCHEM_REFRACTIVITY>
137.67099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-APR-15         0                                  
HETATM    1  C   UNK     0       1.651  -5.891   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.946  -5.057   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.870  -3.519   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.165  -2.685   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.090  -1.147   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       5.535  -3.389   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.820  -2.537   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.715  -1.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.221  -3.211   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.446  -2.060   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.035  -0.576   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      11.094  -2.418   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.617  -3.465   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.214  -2.828   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.001  -4.825   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.457  -6.266   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      11.101  -5.831   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.088  -7.084   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      10.493  -8.570   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       8.606  -6.526   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.483  -4.854   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.017  -5.600   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.036  -7.140   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       5.610  -4.927   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.315  -5.761   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.511  -5.020   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.501  -3.480   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.829  -2.701   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      13.819  -1.161   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      15.168  -3.462   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.497  -2.683   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      16.486  -1.143   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      17.835  -3.444   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      17.846  -4.984   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      19.185  -5.745   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      16.518  -5.763   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.528  -7.303   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      15.179  -5.002   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.850  -5.781   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.861  -7.321   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   25                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   24                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   21                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   27                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17   21                                             
CONECT   16   15                                                            
CONECT   17   15   18   26                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20    9   15   22                                             
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22    6   25                                                  
CONECT   25   24    2                                                       
CONECT   26   17   27   39                                                  
CONECT   27   26   12   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   38                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   30   39                                                  
CONECT   39   38   26   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₂₀O₁₁

Average Mass

544.4680 Da

Monoisotopic Mass

544.10056 Da

IUPAC Name

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

Traditional Name

8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C2C(=O)C3=C(O)C4C(O)C5(O)C(C(=O)CC35C(=O)C2=C1)C1=C4C(=O)C2=C(O)C=C(C)C(O)=C2C1=O

InChI Identifier

InChI=1S/C29H20O11/c1-7-3-9-13(10(30)4-7)24(36)20-25(37)18-15-16(19-12(32)6-28(20,26(9)38)29(19,40)27(18)39)23(35)17-14(22(15)34)11(31)5-8(2)21(17)33/h3-5,18-19,27,30-31,33,37,39-40H,6H2,1-2H3

InChI Key

PKFZUNQTCZISSQ-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, 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
Penicillium purpurogenum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Hydroxyanthraquinones

Alternative Parents

Substituents

Hydroxyanthraquinone
Naphthalene
Tetralin
Quinone
Aryl ketone
Aryl alkyl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Vinylogous acid
Cyclic alcohol
Tertiary alcohol
1,2-diol
Ketone
Secondary alcohol
Polyol
Enol
Organooxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	1.77	ALOGPS
logP	1.83	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	-0.77	ChemAxon
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	206.73 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	137.67 m³·mol⁻¹	ChemAxon
Polarizability	52.37 Å³	ChemAxon
Number of Rings	7	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

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 8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone (NP0258891)

MOL for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

3D MOL for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

3D SDF for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

3D-SDF for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

PDB for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

3D PDB for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

SMILES for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

INCHI for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

Structure for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)

3D Structure for NP0258891 (8,11,16,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.0¹,¹⁷.0⁴,²⁶.0⁵,¹⁴.0⁷,¹².0¹⁹,²⁴]heptacosa-5(14),7,9,11,16,19,21,23-octaene-3,6,13,18,25-pentone)