NP-MRD: Showing NP-Card for 3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid (NP0230420)

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Record Information

Version

2.0

Created at

2022-09-06 10:51:55 UTC

Updated at

2022-09-06 10:51:56 UTC

NP-MRD ID

NP0230420

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid

Description

3-(7A-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoyl]oxy}-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. 3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid is found in Trichoderma virens. Based on a literature review very few articles have been published on 3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoyl]oxy}-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062212512D          

 38 40  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309062212512D          

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    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -2.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4944   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -3.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089   -3.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -3.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
 12 11  1  4  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 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  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 27 26  1  4  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 26 34  1  0  0  0  0
 19 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 19 38  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0230420

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1CCC(CO)=CC1C=C(CO)C(=O)OC12COC(=O)C1C(C=C(CO)C(O)=O)C(CC2)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-21(14-32)27(35)38-29-8-7-23(17(3)4)24(11-20(13-31)26(33)34)25(29)28(36)37-15-29/h9-11,16-17,19,22-25,30-32H,5-8,12-15H2,1-4H3,(H,33,34)

> <INCHI_KEY>
SURXDMKZUNYPPX-UHFFFAOYSA-N

> <FORMULA>
C29H42O9

> <MOLECULAR_WEIGHT>
534.646

> <EXACT_MASS>
534.282882932

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
57.233693220086536

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoyl]oxy}-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid

> <JCHEM_LOGP>
2.697616851666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.72270949321079

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.101577715673018

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9698309921152282

> <JCHEM_POLAR_SURFACE_AREA>
150.59

> <JCHEM_REFRACTIVITY>
142.01679999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic 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       5.760   4.341   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.599   5.872   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.845   6.777   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.192   6.499   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.031   8.030   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.624   8.657   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.379   7.751   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.028   8.378   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -1.274   7.473   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.539   6.220   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.946   5.593   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.107   4.062   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.861   3.157   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.455   3.783   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -0.791   2.878   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       2.022   1.625   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.777   0.720   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       3.429   0.999   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.591  -2.843   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.591  -4.383   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.925  -2.073   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.924  -4.383   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.590  -5.153   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.257  -4.383   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.923  -5.153   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.590  -6.693   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.257  -7.463   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.924  -7.463   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.126  -2.549   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.650  -4.013   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.220  -1.303   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11                                                       
CONECT   11   10    4   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   34   38                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   22   27   34                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   26   19   35                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   19                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Value	Source
3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoyl]oxy}-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoate	Generator

Chemical Formula

C₂₉H₄₂O₉

Average Mass

534.6460 Da

Monoisotopic Mass

534.28288 Da

IUPAC Name

3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoyl]oxy}-3-oxo-5-(propan-2-yl)-octahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid

Traditional Name

3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid

CAS Registry Number

Not Available

SMILES

CC(C)C1CCC(CO)=CC1C=C(CO)C(=O)OC12COC(=O)C1C(C=C(CO)C(O)=O)C(CC2)C(C)C

InChI Identifier

InChI=1S/C29H42O9/c1-16(2)22-6-5-18(12-30)9-19(22)10-21(14-32)27(35)38-29-8-7-23(17(3)4)24(11-20(13-31)26(33)34)25(29)28(36)37-15-29/h9-11,16-17,19,22-25,30-32H,5-8,12-15H2,1-4H3,(H,33,34)

InChI Key

SURXDMKZUNYPPX-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
Trichoderma virens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene lactones

Direct Parent

Terpene lactones

Alternative Parents

Substituents

Terpene lactone
Sesquiterpenoid
Isobenzofuran
Tricarboxylic acid or derivatives
Fatty acid ester
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Gamma butyrolactone
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
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	2.7	ChemAxon
pKa (Strongest Acidic)	4.1	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	150.59 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	142.02 m³·mol⁻¹	ChemAxon
Polarizability	57.23 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

162814390

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid (NP0230420)

MOL for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

3D MOL for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

3D SDF for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

3D-SDF for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

PDB for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

3D PDB for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

SMILES for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

INCHI for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

Structure for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)

3D Structure for NP0230420 (3-(7a-{[2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-isopropylcyclohex-2-en-1-yl]prop-2-enoyl]oxy}-5-isopropyl-3-oxo-hexahydro-2-benzofuran-4-yl)-2-(hydroxymethyl)prop-2-enoic acid)