NP-MRD: Showing NP-Card for (1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate (NP0294799)

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Record Information

Version

2.0

Created at

2022-09-10 03:30:24 UTC

Updated at

2022-09-10 03:30:24 UTC

NP-MRD ID

NP0294799

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate

Description

(1R,2S,3R,4R,5R,6R)-3,4-bis[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. (1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate is found in Vernonia angustifolia. Based on a literature review very few articles have been published on (1R,2S,3R,4R,5R,6R)-3,4-bis[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309102205302D          

 33 33  0  0  1  0            999 V2000
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
M  END


  Mrv1652309102205302D          

 33 33  0  0  1  0            999 V2000
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0294799

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=C(C)C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OC(=O)C(C)=C(C)C)[C@H](OC(=O)C(C)=C(C)C)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H36O9/c1-10(2)13(7)22(28)31-19-16(25)17(26)20(32-23(29)14(8)11(3)4)21(18(19)27)33-24(30)15(9)12(5)6/h16-21,25-27H,1-9H3/t16-,17-,18+,19-,20-,21-/m1/s1

> <INCHI_KEY>
OZPXOBZBSQIJRM-JMPUJIDWSA-N

> <FORMULA>
C24H36O9

> <MOLECULAR_WEIGHT>
468.543

> <EXACT_MASS>
468.235932739

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
48.81247563816695

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,2R,3R,4R,5R,6S)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate

> <JCHEM_LOGP>
3.5868858669999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.201885796023447

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.538093922330294

> <JCHEM_PKA_STRONGEST_BASIC>
-3.661581922791364

> <JCHEM_POLAR_SURFACE_AREA>
139.59000000000003

> <JCHEM_REFRACTIVITY>
120.11040000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,3R,4R,5R,6S)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334   8.470   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       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   32                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   12   22   30                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   21   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30    9   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   66    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,3R,4R,5R,6R)-3,4-Bis[(2,3-dimethylbut-2-enoyl)oxy]-2,5,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoic acid	Generator

Chemical Formula

C₂₄H₃₆O₉

Average Mass

468.5430 Da

Monoisotopic Mass

468.23593 Da

IUPAC Name

(1R,2R,3R,4R,5R,6S)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate

Traditional Name

(1R,2R,3R,4R,5R,6S)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate

CAS Registry Number

Not Available

SMILES

CC(C)=C(C)C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OC(=O)C(C)=C(C)C)[C@H](OC(=O)C(C)=C(C)C)[C@H]1O

InChI Identifier

InChI=1S/C24H36O9/c1-10(2)13(7)22(28)31-19-16(25)17(26)20(32-23(29)14(8)11(3)4)21(18(19)27)33-24(30)15(9)12(5)6/h16-21,25-27H,1-9H3/t16-,17-,18+,19-,20-,21-/m1/s1

InChI Key

OZPXOBZBSQIJRM-JMPUJIDWSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Vernonia angustifolia	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Cyclohexanol
Fatty acid ester
Cyclitol or derivatives
Fatty acyl
Cyclic alcohol
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Secondary alcohol
Polyol
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Organic oxygen compound
Organooxygen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic 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	3.59	ChemAxon
pKa (Strongest Acidic)	12.54	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	139.59 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	120.11 m³·mol⁻¹	ChemAxon
Polarizability	48.81 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

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Chemspider ID

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KEGG Compound ID

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BioCyc ID

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BiGG ID

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Wikipedia Link

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METLIN ID

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PubChem Compound

163057500

PDB ID

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ChEBI ID

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Good Scents ID

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References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate (NP0294799)

MOL for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

3D MOL for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

3D SDF for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

3D-SDF for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

PDB for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

3D PDB for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

SMILES for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

INCHI for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

Structure for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)

3D Structure for NP0294799 ((1r,2r,3r,4r,5r,6s)-2,5-bis[(2,3-dimethylbut-2-enoyl)oxy]-3,4,6-trihydroxycyclohexyl 2,3-dimethylbut-2-enoate)