NP-MRD: Showing NP-Card for methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate (NP0254072)

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Record Information

Version

2.0

Created at

2022-09-07 18:07:33 UTC

Updated at

2022-09-07 18:07:33 UTC

NP-MRD ID

NP0254072

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate

Description

Methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]Octadecane]-4',9'-diene-1'-carboxylate belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate is found in Talaromyces purpureogenus. Based on a literature review very few articles have been published on methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]Octadecane]-4',9'-diene-1'-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072220072D          

 35 39  0  0  0  0            999 V2000
    1.3475    3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    2.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455    1.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6188    2.1522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078    1.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037    0.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258    1.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4652    0.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0963    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639   -0.2177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6493   -0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232   -1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482   -1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105   -1.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5908   -0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344   -0.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8204   -1.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0774   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4707   -0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7059    1.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6718    1.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2605    0.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    1.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7937   -0.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293   -0.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 16 31  1  0  0  0  0
  5 31  1  0  0  0  0
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 13 33  1  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 35  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072220072D          

 35 39  0  0  0  0            999 V2000
    1.3475    3.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 16 31  1  0  0  0  0
  5 31  1  0  0  0  0
 31 32  1  0  0  0  0
 13 33  1  0  0  0  0
  5 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0254072

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C12C(=O)C(C)(O)C(=O)C(C)(CC3C1(C)CC=C1C(=CC(=O)OC1(C)C)C3(C)O)C21CO1

> <INCHI_IDENTIFIER>
InChI=1S/C26H32O9/c1-20(2)13-8-9-21(3)15(23(5,31)14(13)10-16(27)35-20)11-22(4)17(28)24(6,32)18(29)26(21,19(30)33-7)25(22)12-34-25/h8,10,15,31-32H,9,11-12H2,1-7H3

> <INCHI_KEY>
XGYXSVBDXZSQAO-UHFFFAOYSA-N

> <FORMULA>
C26H32O9

> <MOLECULAR_WEIGHT>
488.533

> <EXACT_MASS>
488.20463261

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.994605716278926

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0^{2,12}.0^{5,10}]octadecane]-4',9'-diene-1'-carboxylate

> <JCHEM_LOGP>
1.8083365806666676

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.06657099658257

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.492254080885456

> <JCHEM_PKA_STRONGEST_BASIC>
-3.207592900168076

> <JCHEM_POLAR_SURFACE_AREA>
139.73000000000002

> <JCHEM_REFRACTIVITY>
122.49109999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0^{2,12}.0^{5,10}]octadecane]-4',9'-diene-1'-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       2.515   5.981   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       2.258   4.462   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.445   3.481   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.888   4.017   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.188   1.962   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.687   1.619   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.795   2.874   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.868   0.314   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.180   1.442   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.493  -0.406   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.212  -1.187   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.043  -2.079   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.517  -2.006   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.260  -3.524   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.018  -1.662   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.836  -0.357   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.224  -1.025   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.265  -2.229   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       7.185  -2.228   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       7.611  -0.355   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.741  -1.402   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.212  -0.947   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.342  -1.994   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      10.554   0.554   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.424   1.601   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.651   2.532   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.721   2.971   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.953   1.146   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.992   2.350   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.452   2.349   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.492   1.144   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.234   2.662   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.348  -0.106   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.792   0.431   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       4.535  -1.087   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   31   33                                             
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15   33                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   31                                                  
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   20   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   16    5   32                                             
CONECT   32   31                                                            
CONECT   33   13    5   34   35                                             
CONECT   34   33   35                                                       
CONECT   35   34   33                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Value	Source
Methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0,.0,]octadecane]-4',9'-diene-1'-carboxylic acid	Generator

Chemical Formula

C₂₆H₃₂O₉

Average Mass

488.5330 Da

Monoisotopic Mass

488.20463 Da

IUPAC Name

methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0^{2,12}.0^{5,10}]octadecane]-4',9'-diene-1'-carboxylate

Traditional Name

methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0^{2,12}.0^{5,10}]octadecane]-4',9'-diene-1'-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C12C(=O)C(C)(O)C(=O)C(C)(CC3C1(C)CC=C1C(=CC(=O)OC1(C)C)C3(C)O)C21CO1

InChI Identifier

InChI=1S/C26H32O9/c1-20(2)13-8-9-21(3)15(23(5,31)14(13)10-16(27)35-20)11-22(4)17(28)24(6,32)18(29)26(21,19(30)33-7)25(22)12-34-25/h8,10,15,31-32H,9,11-12H2,1-7H3

InChI Key

XGYXSVBDXZSQAO-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 dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyrans

Sub Class

Pyranones and derivatives

Direct Parent

Dihydropyranones

Alternative Parents

Substituents

Dihydropyranone
Dicarboxylic acid or derivatives
Acyloin
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Tertiary alcohol
Cyclic alcohol
Lactone
Ketone
Carboxylic acid ester
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	1.81	ChemAxon
pKa (Strongest Acidic)	11.49	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	139.73 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	122.49 m³·mol⁻¹	ChemAxon
Polarizability	48.99 Å³	ChemAxon
Number of Rings	5	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

162816079

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate (NP0254072)

MOL for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

3D MOL for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

3D SDF for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

3D-SDF for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

PDB for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

3D PDB for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

SMILES for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

INCHI for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

Structure for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)

3D Structure for NP0254072 (methyl 11',16'-dihydroxy-2',6',6',11',14',16'-hexamethyl-8',15',17'-trioxo-7'-oxaspiro[oxirane-2,18'-tetracyclo[12.3.1.0²,¹².0⁵,¹⁰]octadecane]-4',9'-diene-1'-carboxylate)