NP-MRD: Showing NP-Card for (1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol (NP0168309)

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Record Information

Version

2.0

Created at

2022-09-03 04:05:15 UTC

Updated at

2022-09-03 04:05:15 UTC

NP-MRD ID

NP0168309

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol

Description

Saucerneol methyl ether belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. (1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol is found in Saururus cernuus and Saururus chinensis. (1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol was first documented in 2003 (PMID: 13679100). Based on a literature review very few articles have been published on Saucerneol methyl ether (PMID: 16918500).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032206052D          

 40 43  0  0  1  0            999 V2000
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  1  2  1  0  0  0  0
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  3 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309032206052D          

 40 43  0  0  1  0            999 V2000
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   -2.5298   -8.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7395   -7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0751   -6.6148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902   -5.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -7.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8411   -4.8712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3261   -4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -5.0437    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7920   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -4.2590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3467   -4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.4741    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  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
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  2  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
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 19 28  1  0  0  0  0
 13 29  1  0  0  0  0
 29 30  2  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
  9 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  1  6  0  0  0
  6 37  1  0  0  0  0
 37 38  2  0  0  0  0
  3 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0168309

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC=C(C=C1OC)[C@@H](O)[C@@H](C)OC1=CC=C([C@H]2O[C@@H]([C@H](C)[C@H]2C)C2=CC=C(OC)C(OC)=C2)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C32H40O8/c1-18-19(2)32(40-31(18)22-10-14-26(35-5)29(16-22)38-8)24-12-11-23(17-27(24)36-6)39-20(3)30(33)21-9-13-25(34-4)28(15-21)37-7/h9-20,30-33H,1-8H3/t18-,19-,20-,30+,31+,32+/m1/s1

> <INCHI_KEY>
PHBKKIVPJUXHOM-PLCQSOOISA-N

> <FORMULA>
C32H40O8

> <MOLECULAR_WEIGHT>
552.664

> <EXACT_MASS>
552.272318248

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
61.34200064335296

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-{4-[(2S,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol

> <ALOGPS_LOGP>
4.90

> <JCHEM_LOGP>
5.393458535000002

> <ALOGPS_LOGS>
-5.96

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.429512553919519

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4857312089156016

> <JCHEM_POLAR_SURFACE_AREA>
84.84000000000002

> <JCHEM_REFRACTIVITY>
151.8354

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.03e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R)-1-(3,4-dimethoxyphenyl)-2-{4-[(2S,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       7.803  -0.115   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       9.137  -0.885   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.137  -2.425   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.470  -3.195   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.470  -4.735   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.137  -5.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.137  -7.045   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.891  -7.950   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.367  -9.415   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.461 -10.661   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.088 -12.068   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.183 -13.313   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.651 -13.152   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       4.746 -14.398   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.214 -14.237   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.588 -12.831   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.309 -15.483   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.935 -16.890   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.777 -15.322   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.128 -16.568   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.659 -16.407   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.286 -15.000   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.817 -14.839   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -4.722 -16.085   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.380 -13.754   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -2.007 -12.348   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.102 -11.102   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       0.151 -13.915   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.025 -11.746   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.930 -10.500   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.303  -9.093   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.209  -7.847   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.907  -9.415   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      10.812 -10.661   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.382  -7.950   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.847  -7.474   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.803  -4.735   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       7.803  -3.195   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       6.469  -2.425   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       6.469  -0.885   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   38                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   37                                                  
CONECT    7    6    8   35                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   33                                                  
CONECT   10    9   11   30                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   29                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   19                                                       
CONECT   29   13   30                                                       
CONECT   30   29   10   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31                                                            
CONECT   33    9   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    7   36                                                  
CONECT   36   35                                                            
CONECT   37    6   38                                                       
CONECT   38   37    3   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₀O₈

Average Mass

552.6640 Da

Monoisotopic Mass

552.27232 Da

IUPAC Name

(1R,2R)-1-(3,4-dimethoxyphenyl)-2-{4-[(2S,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol

Traditional Name

(1R,2R)-1-(3,4-dimethoxyphenyl)-2-{4-[(2S,3R,4R,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol

CAS Registry Number

Not Available

SMILES

COC1=CC=C(C=C1OC)[C@@H](O)[C@@H](C)OC1=CC=C([C@H]2O[C@@H]([C@H](C)[C@H]2C)C2=CC=C(OC)C(OC)=C2)C(OC)=C1

InChI Identifier

InChI=1S/C32H40O8/c1-18-19(2)32(40-31(18)22-10-14-26(35-5)29(16-22)38-8)24-12-11-23(17-27(24)36-6)39-20(3)30(33)21-9-13-25(34-4)28(15-21)37-7/h9-20,30-33H,1-8H3/t18-,19-,20-,30+,31+,32+/m1/s1

InChI Key

PHBKKIVPJUXHOM-PLCQSOOISA-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
Saururus cernuus	LOTUS Database	35616633
Saururus chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

7,7'-epoxylignans

Alternative Parents

Substituents

7,7p-epoxylignan
Dibenzylbutane lignan skeleton
Dimethoxybenzene
O-dimethoxybenzene
Phenylpropane
Methoxybenzene
Anisole
Phenoxy compound
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Oxolane
Secondary alcohol
Oxacycle
Ether
Organoheterocyclic compound
Dialkyl ether
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Alcohol
Aromatic alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	4.9	ALOGPS
logP	5.39	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	13.43	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	84.84 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	151.84 m³·mol⁻¹	ChemAxon
Polarizability	61.34 Å³	ChemAxon
Number of Rings	4	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

101263260

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Nam NH: Naturally occurring NF-kappaB inhibitors. Mini Rev Med Chem. 2006 Aug;6(8):945-51. doi: 10.2174/138955706777934937. [PubMed:16918500 ]
Hwang BY, Lee JH, Nam JB, Hong YS, Lee JJ: Lignans from Saururus chinensis inhibiting the transcription factor NF-kappaB. Phytochemistry. 2003 Oct;64(3):765-71. doi: 10.1016/s0031-9422(03)00391-1. [PubMed:13679100 ]
LOTUS database [Link]

Showing NP-Card for (1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol (NP0168309)

MOL for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

3D MOL for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

3D SDF for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

3D-SDF for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

PDB for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

3D PDB for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

SMILES for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

INCHI for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

Structure for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)

3D Structure for NP0168309 ((1r,2r)-1-(3,4-dimethoxyphenyl)-2-{4-[(2s,3r,4r,5s)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-3-methoxyphenoxy}propan-1-ol)