NP-MRD: Showing NP-Card for 7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate (NP0246546)

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Record Information

Version

2.0

Created at

2022-09-07 08:03:41 UTC

Updated at

2022-09-07 08:03:42 UTC

NP-MRD ID

NP0246546

Secondary Accession Numbers

None

Natural Product Identification

Common Name

7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

Description

7A-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-octahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety. Based on a literature review very few articles have been published on 7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-octahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072210032D          

 29 31  0  0  0  0            999 V2000
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1052    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782   -0.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2949    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154    1.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0654    2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3509    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636   -0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3636   -0.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.8250    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
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  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
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 20 29  1  0  0  0  0
  3 29  1  0  0  0  0
 16 29  1  0  0  0  0
M  END

     RDKit          3D

 63 65  0  0  0  0  0  0  0  0999 V2000
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   -1.0509   -1.1856    1.7998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1186   -0.8535    0.8165 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0504   -1.7975    0.8314 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1564   -2.7317   -0.3072 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7077   -4.0440    0.0436 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480   -2.4263   -1.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0794    1.9502    1.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   -2.7638   -0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2447   -1.8450    0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3939   -1.1958    0.9827 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8980   -1.6471    2.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515    0.2700    1.0314 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8916    0.5162    1.4926 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376    1.0956   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    0.8087   -1.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2314    1.7000   -1.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1851    1.3923   -2.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2603    3.0630   -1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9278   -1.2706    2.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9566    0.7017    1.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4509    0.4801    0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6704    2.1550    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447    1.2343   -0.6283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4008   -0.1659   -1.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1902    0.3078   -3.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2079    1.6762   -2.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309072210032D          

 29 31  0  0  0  0            999 V2000
    2.5645    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1368    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8513    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 29  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0246546

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C2C(O)(COC2(C)C(O)CC=C(C)C)CCC1OC(=O)C=CC1OC1C

> <INCHI_IDENTIFIER>
InChI=1S/C22H34O7/c1-13(2)6-8-17(23)21(4)20-19(26-5)16(10-11-22(20,25)12-27-21)29-18(24)9-7-15-14(3)28-15/h6-7,9,14-17,19-20,23,25H,8,10-12H2,1-5H3

> <INCHI_KEY>
PYDIXUYHVOZYTI-UHFFFAOYSA-N

> <FORMULA>
C22H34O7

> <MOLECULAR_WEIGHT>
410.507

> <EXACT_MASS>
410.230453435

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
44.825296815076584

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-octahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

> <JCHEM_LOGP>
1.9329735290000007

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.100201134362862

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.436310743168061

> <JCHEM_PKA_STRONGEST_BASIC>
-3.270372627161083

> <JCHEM_POLAR_SURFACE_AREA>
97.75000000000001

> <JCHEM_REFRACTIVITY>
107.9329

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

> <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       4.787   4.620   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.121   3.850   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       8.788   2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      10.122   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.122  -0.000   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.455   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.789   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.123   2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      14.893   3.644   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      15.663   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.996   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.626  -1.532   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.322  -0.476   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.417   0.770   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       3.322   2.016   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.949   3.423   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.989   2.786   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.989   4.326   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.655   0.476   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.679  -0.294   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.679  -1.834   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.012   0.476   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   29                                                  
CONECT    4    3    5   14                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10   12                                                       
CONECT   12   11   10   13                                                  
CONECT   13   12                                                            
CONECT   14    4   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   29                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   29                                             
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   20    3   16                                                  
MASTER        0    0    0    0    0    0    0    0   29    0   62    0
END

View in JSmol

Synonyms

Value	Source
7a-Hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-octahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoic acid	Generator

Chemical Formula

C₂₂H₃₄O₇

Average Mass

410.5070 Da

Monoisotopic Mass

410.23045 Da

IUPAC Name

7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-octahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

Traditional Name

7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1C2C(O)(COC2(C)C(O)CC=C(C)C)CCC1OC(=O)C=CC1OC1C

InChI Identifier

InChI=1S/C22H34O7/c1-13(2)6-8-17(23)21(4)20-19(26-5)16(10-11-22(20,25)12-27-21)29-18(24)9-7-15-14(3)28-15/h6-7,9,14-17,19-20,23,25H,8,10-12H2,1-5H3

InChI Key

PYDIXUYHVOZYTI-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isobenzofurans

Sub Class

Not Available

Direct Parent

Isobenzofurans

Alternative Parents

Substituents

Isobenzofuran
Fatty acid ester
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	1.93	ChemAxon
pKa (Strongest Acidic)	13.44	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	97.75 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	107.93 m³·mol⁻¹	ChemAxon
Polarizability	44.83 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

162815983

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate (NP0246546)

MOL for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

3D MOL for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

3D SDF for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

3D-SDF for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

PDB for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

3D PDB for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

SMILES for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

INCHI for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

Structure for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)

3D Structure for NP0246546 (7a-hydroxy-3-(1-hydroxy-4-methylpent-3-en-1-yl)-4-methoxy-3-methyl-hexahydro-2-benzofuran-5-yl 3-(3-methyloxiran-2-yl)prop-2-enoate)