NP-MRD: Showing NP-Card for 4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate (NP0328095)

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Record Information

Version

2.0

Created at

2022-09-12 11:15:18 UTC

Updated at

2022-09-12 11:15:18 UTC

NP-MRD ID

NP0328095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

Description

Benzyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoate belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). 4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate is found in Punctelia borreri. Benzyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251512112D          

 43 45  0  0  0  0            999 V2000
    7.3362   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004251512112D          

 43 45  0  0  0  0            999 V2000
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   11.0487   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8737   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -1.9816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1112   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487   -1.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612   -0.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487    0.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487    1.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862   -1.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987   -1.2671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987   -2.6961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8237   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0612   -3.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0612   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8237   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487   -2.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3487   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5237   -2.6961    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  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  9 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
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 29 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  2  0  0  0  0
 21 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC(=O)CC1=CC(OC)=CC(O)=C1C(=O)OC1=CC(CCCCC)=C(C(=O)OCC2=CC=CC=C2)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H42O8/c1-5-7-10-16-25-19-29(22-31(41-4)33(25)34(38)42-23-24-14-12-9-13-15-24)43-35(39)32-26(18-27(36)17-11-8-6-2)20-28(40-3)21-30(32)37/h9,12-15,19-22,37H,5-8,10-11,16-18,23H2,1-4H3

> <INCHI_KEY>
UXAPRWNSFPTHGV-UHFFFAOYSA-N

> <FORMULA>
C35H42O8

> <MOLECULAR_WEIGHT>
590.713

> <EXACT_MASS>
590.287968312

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
66.17899253311026

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

> <ALOGPS_LOGP>
7.18

> <JCHEM_LOGP>
9.68703516033333

> <ALOGPS_LOGS>
-6.54

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.663437144774704

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.494800876552896

> <JCHEM_PKA_STRONGEST_BASIC>
-4.066412749833174

> <JCHEM_POLAR_SURFACE_AREA>
108.36000000000001

> <JCHEM_REFRACTIVITY>
166.1398999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.71e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0      13.694  -6.366   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.234  -6.366   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.544  -7.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.314  -9.034   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.854  -9.034   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      20.624 -10.367   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      20.624  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.854  -6.366   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      18.314  -6.366   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.544  -5.033   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      16.004  -5.033   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      15.234  -3.699   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.314  -3.699   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      19.854  -3.699   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      20.624  -2.365   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      20.624  -5.033   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.164  -5.033   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      22.934  -6.366   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      22.934  -3.699   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      24.474  -3.699   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      25.244  -2.365   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.784  -2.365   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      27.554  -1.032   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.784   0.302   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      27.554   1.636   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      26.784   2.969   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      27.554   4.303   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      27.554  -3.699   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.094  -3.699   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      29.864  -2.365   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      29.864  -5.033   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      31.404  -5.033   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      32.174  -6.366   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      33.714  -6.366   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      34.484  -7.700   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      33.714  -9.034   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      32.174  -9.034   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      31.404  -7.700   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      26.784  -5.033   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      27.554  -6.366   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      26.784  -7.700   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      25.244  -5.033   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    9   18                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   43                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   23   30   40                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   34                                                       
CONECT   40   29   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40   21                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

View in JSmol

Synonyms

Value	Source
Benzyl 4-[2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoyloxy]-2-methoxy-6-pentylbenzoic acid	Generator

Chemical Formula

C₃₅H₄₂O₈

Average Mass

590.7130 Da

Monoisotopic Mass

590.28797 Da

IUPAC Name

4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

Traditional Name

4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate

CAS Registry Number

Not Available

SMILES

CCCCCC(=O)CC1=CC(OC)=CC(O)=C1C(=O)OC1=CC(CCCCC)=C(C(=O)OCC2=CC=CC=C2)C(OC)=C1

InChI Identifier

InChI=1S/C35H42O8/c1-5-7-10-16-25-19-29(22-31(41-4)33(25)34(38)42-23-24-14-12-9-13-15-24)43-35(39)32-26(18-27(36)17-11-8-6-2)20-28(40-3)21-30(32)37/h9,12-15,19-22,37H,5-8,10-11,16-18,23H2,1-4H3

InChI Key

UXAPRWNSFPTHGV-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
Punctelia borreri	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone).

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Depsides and depsidones

Sub Class

Not Available

Direct Parent

Depsides and depsidones

Alternative Parents

Substituents

Depside backbone
O-hydroxybenzoic acid ester
O-methoxybenzoic acid or derivatives
P-methoxybenzoic acid or derivatives
Benzyloxycarbonyl
Methoxyphenol
Benzoate ester
Phenol ester
Salicylic acid or derivatives
Benzoic acid or derivatives
Phenol ether
Benzoyl
Phenoxy compound
Methoxybenzene
Anisole
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Vinylogous acid
Ketone
Carboxylic acid ester
Carboxylic acid derivative
Ether
Carbonyl group
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	7.18	ALOGPS
logP	9.69	ChemAxon
logS	-6.5	ALOGPS
pKa (Strongest Acidic)	9.49	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.36 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	166.14 m³·mol⁻¹	ChemAxon
Polarizability	66.18 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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 4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate (NP0328095)

MOL for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

3D MOL for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

3D SDF for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

3D-SDF for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

PDB for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

3D PDB for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

SMILES for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

INCHI for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

Structure for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)

3D Structure for NP0328095 (4-[(benzyloxy)carbonyl]-3-methoxy-5-pentylphenyl 2-hydroxy-4-methoxy-6-(2-oxoheptyl)benzoate)