NP-MRD: Showing NP-Card for (2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (NP0228377)

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Record Information

Version

2.0

Created at

2022-09-06 08:00:33 UTC

Updated at

2022-09-06 08:00:33 UTC

NP-MRD ID

NP0228377

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid

Description

CHEMBL4450862 belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid. (2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid is found in Ganoderma applanatum. Based on a literature review very few articles have been published on CHEMBL4450862.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062210002D          

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M  END

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M  END


  Mrv1652309062210002D          

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    6.0544   -1.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9620   -2.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -2.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -2.0807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3377   -2.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   -2.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5256   -3.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7135   -3.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332   -3.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1817   -2.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8218   -3.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -6.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356   -7.3874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638   -6.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 18 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 10 34  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  1  0  0  0
  2 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0228377

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20,22-23,32,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15-,17-,20-,22+,23-,26-,27-,28-,29+,30+/m0/s1

> <INCHI_KEY>
AJWHGXHFEQATTC-SGZQBHBWSA-N

> <FORMULA>
C30H42O8

> <MOLECULAR_WEIGHT>
530.658

> <EXACT_MASS>
530.287968312

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.14673955901391

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,6S)-6-[(1S,3S,5R,7S,10S,14R,17R,18S)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid

> <JCHEM_LOGP>
2.126457840666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.888756468847173

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.007149962930004

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8068506329233466

> <JCHEM_POLAR_SURFACE_AREA>
144.66

> <JCHEM_REFRACTIVITY>
139.852

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,6S)-6-[(1S,3S,5R,7S,10S,14R,17R,18S)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0^{1,3}.0^{5,10}.0^{14,18}]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0       0.517 -11.358   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.008 -11.147   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.589  -9.721   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.643  -8.505   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.882  -8.716   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -1.224  -7.079   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.279  -5.863   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.494  -4.918   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       0.937  -6.808   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.667  -4.647   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.239  -3.168   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.513  -2.304   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.563  -0.764   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       2.729  -3.249   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.618  -1.713   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.245  -2.978   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.252  -1.800   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.768  -1.529   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.284  -1.258   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.277  -2.436   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.793  -2.164   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.263  -0.719   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      10.125  -1.391   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.786  -3.342   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.302  -3.071   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.262  -4.790   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.746  -5.061   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.754  -3.884   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.230  -5.332   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.238  -4.155   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.714  -5.603   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       3.198  -5.874   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.675  -7.323   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.206  -4.697   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.534  -6.083   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.954 -12.363   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -1.373 -13.790   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -3.479 -12.153   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11   34                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   34                                             
CONECT   15   14                                                            
CONECT   16   14   17   18   30                                             
CONECT   17   16   18                                                       
CONECT   18   17   16   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   20   29   30                                             
CONECT   29   28                                                            
CONECT   30   28   16   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   10   14   35                                             
CONECT   35   34                                                            
CONECT   36    2   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₄₂O₈

Average Mass

530.6580 Da

Monoisotopic Mass

530.28797 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H](CC(=O)C[C@](C)(O)C1=C[C@@H](O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(O)=O

InChI Identifier

InChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,20,22-23,32,34,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15-,17-,20-,22+,23-,26-,27-,28-,29+,30+/m0/s1

InChI Key

AJWHGXHFEQATTC-SGZQBHBWSA-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
Ganoderma applanatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Bile acids, alcohols and derivatives

Alternative Parents

Substituents

Bile acid, alcohol, or derivatives
Medium-chain keto acid
Gamma-keto acid
Cyclohexenone
Oxepane
Beta-hydroxy ketone
Keto acid
Cyclic alcohol
Tertiary alcohol
Ketone
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Ether
Oxirane
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organic oxygen compound
Organooxygen compound
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

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

155521540

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid (NP0228377)

MOL for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

3D MOL for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

3D SDF for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

3D-SDF for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

PDB for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

3D PDB for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

SMILES for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

INCHI for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

Structure for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)

3D Structure for NP0228377 ((2s,6s)-6-[(1s,3s,5r,7s,10s,14r,17r,18s)-7,17-dihydroxy-6,6,10,14,18-pentamethyl-13-oxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadeca-11,15-dien-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid)