NP-MRD: Showing NP-Card for 2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one (NP0239541)

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Record Information

Version

2.0

Created at

2022-09-06 23:09:59 UTC

Updated at

2022-09-06 23:10:00 UTC

NP-MRD ID

NP0239541

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one

Description

Onchitriol II belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on Onchitriol II.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072201102D          

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M  END

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M  END


  Mrv1652309072201102D          

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    9.2881   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 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
 22 23  1  6  0  0  0
 22 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
 21 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 19 32  2  0  0  0  0
 32 33  1  0  0  0  0
  5 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
  3 38  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0239541

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](O)[C@H](C)C1=C(C)C(=O)C(C)=C(O1)[C@H](C)\C=C(/C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C1=C(C)C(=O)C(C)=C(CC)O1

> <INCHI_IDENTIFIER>
InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17+,19+,22-,24+,26-,28-/m1/s1

> <INCHI_KEY>
HLJUWPYOKLNZAF-KJGAPIPWSA-N

> <FORMULA>
C32H48O7

> <MOLECULAR_WEIGHT>
544.729

> <EXACT_MASS>
544.340003886

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.36645159026356

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2R,3R,4R,5S,6E,8R)-3,5-dihydroxy-8-{6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxo-4H-pyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethyl-4H-pyran-4-one

> <JCHEM_LOGP>
4.883811894666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.578517042534614

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.00199438030419

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8744462863892117

> <JCHEM_POLAR_SURFACE_AREA>
113.28999999999999

> <JCHEM_REFRACTIVITY>
159.7177

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2R,3R,4R,5S,6E,8R)-3,5-dihydroxy-8-{6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one

> <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      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.004  -4.620   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   38                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   34                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   32                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   28                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26                                                            
CONECT   28   21   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   19   33                                                  
CONECT   33   32                                                            
CONECT   34    5   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36    3   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   80    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₈O₇

Average Mass

544.7290 Da

Monoisotopic Mass

544.34000 Da

IUPAC Name

2-[(2R,3R,4R,5S,6E,8R)-3,5-dihydroxy-8-{6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxo-4H-pyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethyl-4H-pyran-4-one

Traditional Name

2-[(2R,3R,4R,5S,6E,8R)-3,5-dihydroxy-8-{6-[(2S,3S)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one

CAS Registry Number

Not Available

SMILES

CC[C@H](O)[C@H](C)C1=C(C)C(=O)C(C)=C(O1)[C@H](C)\C=C(/C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C1=C(C)C(=O)C(C)=C(CC)O1

InChI Identifier

InChI=1S/C32H48O7/c1-12-24(33)17(5)31-23(11)29(37)20(8)30(39-31)16(4)14-15(3)26(34)19(7)28(36)22(10)32-21(9)27(35)18(6)25(13-2)38-32/h14,16-17,19,22,24,26,28,33-34,36H,12-13H2,1-11H3/b15-14+/t16-,17+,19+,22-,24+,26-,28-/m1/s1

InChI Key

HLJUWPYOKLNZAF-KJGAPIPWSA-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 sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Fatty alcohol
Pyranone
Pyran
Fatty acyl
Heteroaromatic compound
Cyclic ketone
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Alcohol
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	4.88	ChemAxon
pKa (Strongest Acidic)	14	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	113.29 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	159.72 m³·mol⁻¹	ChemAxon
Polarizability	61.37 Å³	ChemAxon
Number of Rings	2	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

8657938

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10482531

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one (NP0239541)

MOL for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

3D MOL for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

3D SDF for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

3D-SDF for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

PDB for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

3D PDB for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

SMILES for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

INCHI for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

Structure for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)

3D Structure for NP0239541 (2-[(2r,3r,4r,5s,6e,8r)-3,5-dihydroxy-8-{6-[(2s,3s)-3-hydroxypentan-2-yl]-3,5-dimethyl-4-oxopyran-2-yl}-4,6-dimethylnon-6-en-2-yl]-6-ethyl-3,5-dimethylpyran-4-one)