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Showing NP-Card for (8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one (NP0353765)

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Record Information
Version2.0
Created at2026-02-25 07:06:20 UTC
Updated at2026-02-25 08:00:57 UTC
NP-MRD IDNP0353765
Natural Product DOIhttps://doi.org/10.57994/8304
Secondary Accession NumbersNone
Natural Product Identification
Common Name(8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one
Description (8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one was first documented in 2023 (PMID: 36617869).
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)


  Mrv2104 03262304182D          

 19 20  0  0  0  0            999 V2000
    2.7512   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    1.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.1701    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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  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  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 10 19  1  0  0  0  0
M  END
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3D MOL for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)

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3D SDF for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)

  Mrv2104 03262304182D          

 19 20  0  0  0  0            999 V2000
    2.7512   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4888   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -2.5687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4131   -0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3715   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5430    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1015    1.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8861    1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    0.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4678    1.1889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2524    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262   -0.1701    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  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  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  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  2  0  0  0  0
 10 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0353765

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(CC2COC(=O)C2CO)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1/C14H18O5/c1-17-12-4-3-9(6-13(12)18-2)5-10-8-19-14(16)11(10)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3

> <INCHI_KEY>
CMAIRGDZOXXILG-UHFFFAOYNA-N

> <FORMULA>
C14H18O5

> <MOLECULAR_WEIGHT>
266.293

> <EXACT_MASS>
266.11542368

$$$$

Download
3D-SDF for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)
Download
PDB for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)
HEADER    PROTEIN                                 26-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAR-23         0                                  
HETATM    1  O   UNK     0       5.136  -0.115   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.802  -0.885   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.802  -2.425   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.048  -3.330   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.512  -2.854   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       4.572  -4.795   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.032  -4.795   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.556  -3.330   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.091  -2.854   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.771  -1.348   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.693  -0.872   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.014   0.634   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.131   1.665   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.189   3.171   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -1.654   3.647   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.595   1.189   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       2.740   2.219   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.204   1.743   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.916  -0.317   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   10                                                       
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

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3D PDB for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)
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SMILES for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)
COC1=CC=C(CC2COC(=O)C2CO)C=C1OC
Download
INCHI for NP0353765 ((8R,20S)-8-(3,4-dimethoxybenzyl)-2′-(hydroxymethyl)dihydrofuran-2(3H)-one)
InChI=1/C14H18O5/c1-17-12-4-3-9(6-13(12)18-2)5-10-8-19-14(16)11(10)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3
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View in JSmol
SynonymsNot Available
Chemical FormulaC14H18O5
Average Mass266.2930 Da
Monoisotopic Mass266.11542 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
COC1=CC=C(CC2COC(=O)C2CO)C=C1OC
InChI Identifier
InChI=1/C14H18O5/c1-17-12-4-3-9(6-13(12)18-2)5-10-8-19-14(16)11(10)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3
InChI KeyCMAIRGDZOXXILG-UHFFFAOYNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Tripterygium wilfordii
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. DOI: 10.1080/10286020.2022.2164490