NP-MRD: Showing NP-Card for 21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione (NP0171787)

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Record Information

Version

2.0

Created at

2022-09-03 08:26:43 UTC

Updated at

2022-09-03 08:26:43 UTC

NP-MRD ID

NP0171787

Secondary Accession Numbers

None

Natural Product Identification

Common Name

21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione

Description

21-Hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]Pentacosa-4,8,12,21-tetraene-23,25-dione belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Based on a literature review very few articles have been published on 21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]Pentacosa-4,8,12,21-tetraene-23,25-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032210262D          

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M  END

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M  END


  Mrv1652309032210262D          

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    5.4515   -2.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737   -1.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    0.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6498    0.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3323    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7113   -0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2177   -0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8743   -1.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5415   -0.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814   -1.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4381   -1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3348   -1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9711   -2.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819   -2.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0200   -1.3341    0.0000 O   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
  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  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  4  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
 14 25  1  0  0  0  0
 16 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 26  1  4  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  7 31  1  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
  5 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 11 37  1  0  0  0  0
  7 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0171787

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CC1CC23OC(=O)C(C2=O)=C(O)C2(C)C4CCC(C)CC4C=CC2C(C)C=CCC3(C)C=C1CO

> <INCHI_IDENTIFIER>
InChI=1S/C32H44O6/c1-18-8-10-25-21(13-18)9-11-24-19(2)7-6-12-30(4)15-23(17-33)22(14-20(3)34)16-32(30)28(36)26(29(37)38-32)27(35)31(24,25)5/h6-7,9,11,15,18-22,24-25,33-35H,8,10,12-14,16-17H2,1-5H3

> <INCHI_KEY>
VJLSELMYIYSGPA-UHFFFAOYSA-N

> <FORMULA>
C32H44O6

> <MOLECULAR_WEIGHT>
524.698

> <EXACT_MASS>
524.313789137

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
59.64553204840306

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0^{1,6}.0^{11,20}.0^{14,19}]pentacosa-4,8,12,21-tetraene-23,25-dione

> <ALOGPS_LOGP>
4.21

> <JCHEM_LOGP>
4.792394392666665

> <ALOGPS_LOGS>
-5.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
17.182479845096825

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.8393574479794967

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3393445225809382

> <JCHEM_POLAR_SURFACE_AREA>
104.06

> <JCHEM_REFRACTIVITY>
150.68800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.78e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0^{1,6}.0^{11,20}.0^{14,19}]pentacosa-4,8,12,21-tetraene-23,25-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.996  -8.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.178  -7.553   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.628  -8.071   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.099  -6.038   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.075  -5.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.539  -5.539   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.883  -4.612   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.296  -6.174   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.827  -6.426   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       6.518  -7.802   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       6.546  -5.032   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.987  -4.251   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.124  -5.290   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       8.631  -2.754   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.184  -4.191   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.485  -1.221   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.740  -0.329   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.141  -0.970   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.286  -2.503   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.686  -3.144   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.832  -4.677   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.232  -5.318   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.576  -5.569   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.176  -4.928   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.031  -3.395   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       7.655   0.203   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.680   1.353   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.220   0.833   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.061  -0.221   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.140  -1.546   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.499  -3.014   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.878  -1.604   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.019  -2.509   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.818  -3.502   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.625  -2.963   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.813  -3.944   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.380  -4.009   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       5.637  -2.490   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   34                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   31   37                                             
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   37                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   25                                             
CONECT   15   14                                                            
CONECT   16   14   17   26                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   19   14                                                  
CONECT   26   16   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30    7   32   33                                             
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33    5   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   11    7   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₄O₆

Average Mass

524.6980 Da

Monoisotopic Mass

524.31379 Da

IUPAC Name

21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0^{1,6}.0^{11,20}.0^{14,19}]pentacosa-4,8,12,21-tetraene-23,25-dione

Traditional Name

21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0^{1,6}.0^{11,20}.0^{14,19}]pentacosa-4,8,12,21-tetraene-23,25-dione

CAS Registry Number

Not Available

SMILES

CC(O)CC1CC23OC(=O)C(C2=O)=C(O)C2(C)C4CCC(C)CC4C=CC2C(C)C=CCC3(C)C=C1CO

InChI Identifier

InChI=1S/C32H44O6/c1-18-8-10-25-21(13-18)9-11-24-19(2)7-6-12-30(4)15-23(17-33)22(14-20(3)34)16-32(30)28(36)26(29(37)38-32)27(35)31(24,25)5/h6-7,9,11,15,18-22,24-25,33-35H,8,10,12-14,16-17H2,1-5H3

InChI Key

VJLSELMYIYSGPA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesterterpenoids

Direct Parent

Sesterterpenoids

Alternative Parents

Substituents

Sesterterpenoid
3-furanone
Gamma butyrolactone
Oxolane
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Vinylogous acid
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Enol
Oxacycle
Alcohol
Organooxygen compound
Organic oxide
Organic oxygen compound
Primary alcohol
Carbonyl group
Hydrocarbon derivative
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
logP	4.21	ALOGPS
logP	4.79	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	3.84	ChemAxon
pKa (Strongest Basic)	-1.3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	104.06 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	150.69 m³·mol⁻¹	ChemAxon
Polarizability	59.65 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	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

76213246

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione (NP0171787)

MOL for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

3D MOL for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

3D SDF for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

3D-SDF for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

PDB for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

3D PDB for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

SMILES for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

INCHI for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

Structure for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)

3D Structure for NP0171787 (21-hydroxy-4-(hydroxymethyl)-3-(2-hydroxypropyl)-6,10,16,20-tetramethyl-24-oxapentacyclo[20.2.1.0¹,⁶.0¹¹,²⁰.0¹⁴,¹⁹]pentacosa-4,8,12,21-tetraene-23,25-dione)