NP-MRD: Showing NP-Card for 1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate (NP0328047)

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Record Information

Version

2.0

Created at

2022-09-12 11:09:15 UTC

Updated at

2022-09-12 11:09:15 UTC

NP-MRD ID

NP0328047

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate

Description

1,3-Ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. 1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate is found in Cynodon dactylon. Based on a literature review very few articles have been published on 1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122213092D          

 42 44  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  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
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    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2978   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1228   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5353   -1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -1.1064    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309122213092D          

 42 44  0  0  0  0            999 V2000
    2.1434    2.0625    0.0000 C   0  0  0  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
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    2.5353   -2.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -1.1064    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -1.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3603   -0.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.1167    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -6.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -5.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939   -1.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1064   -1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1064   -2.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314   -2.5353    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314   -1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9314   -3.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7564   -2.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    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
    0.0000    2.4750    0.0000 Si  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
    0.4125    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.7605    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  2  0  0  0  0
 16 26  1  0  0  0  0
 15 27  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
  5 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0328047

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O[Si](C)(C)C)C1C(C(C1C(=O)O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H50O7Si4/c1-34-25-20-22(16-19-24(25)36-40(5,6)7)27-28(30(32)37-41(8,9)10)26(29(27)31(33)38-42(11,12)13)21-14-17-23(18-15-21)35-39(2,3)4/h14-20,26-29H,1-13H3

> <INCHI_KEY>
ZTJDMUHDJBNXSQ-UHFFFAOYSA-N

> <FORMULA>
C31H50O7Si4

> <MOLECULAR_WEIGHT>
647.074

> <EXACT_MASS>
646.26336009

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
92

> <JCHEM_AVERAGE_POLARIZABILITY>
69.45841251853176

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate

> <JCHEM_LOGP>
8.476699999999997

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.289574816574233

> <JCHEM_POLAR_SURFACE_AREA>
80.29

> <JCHEM_REFRACTIVITY>
155.6732

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.423  -3.399   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.963  -3.399   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       4.733  -4.733   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.733  -2.065   0.000  0.00  0.00           O+0
HETATM   11 Si   UNK     0       6.273  -2.065   0.000  0.00  0.00          Si+0
HETATM   12  C   UNK     0       6.273  -3.605   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.273  -0.525   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.813  -2.065   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -4.488   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -6.028   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667  -6.798   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667  -8.338   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -9.108   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334 -10.648   0.000  0.00  0.00           O+0
HETATM   21 Si   UNK     0       0.000 -11.418   0.000  0.00  0.00          Si+0
HETATM   22  C   UNK     0      -1.334 -12.188   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.770 -12.752   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.770 -10.084   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000  -8.338   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000  -6.798   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.245  -3.399   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.295  -3.399   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.065  -2.065   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.065  -4.733   0.000  0.00  0.00           O+0
HETATM   31 Si   UNK     0      -3.605  -4.733   0.000  0.00  0.00          Si+0
HETATM   32  C   UNK     0      -3.605  -3.193   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.605  -6.273   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.145  -4.733   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   39 Si   UNK     0       0.000   4.620   0.000  0.00  0.00          Si+0
HETATM   40  C   UNK     0      -1.334   5.390   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       0.770   5.954   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.770   3.286   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   35                                                  
CONECT    6    5    7   27                                                  
CONECT    7    6    8   15                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13   14                                             
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   11                                                            
CONECT   15    7   16   27                                                  
CONECT   16   15   17   26                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
CONECT   25   19   26                                                       
CONECT   26   25   16                                                       
CONECT   27   15    6   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31                                                       
CONECT   31   30   32   33   34                                             
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   31                                                            
CONECT   35    5   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36    3   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40   41   42                                             
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   39                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

View in JSmol

Synonyms

Value	Source
1,3-Ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylic acid	Generator

Chemical Formula

C₃₁H₅₀O₇Si₄

Average Mass

647.0740 Da

Monoisotopic Mass

646.26336 Da

IUPAC Name

1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate

Traditional Name

1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O[Si](C)(C)C)C1C(C(C1C(=O)O[Si](C)(C)C)C1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C

InChI Identifier

InChI=1S/C31H50O7Si4/c1-34-25-20-22(16-19-24(25)36-40(5,6)7)27-28(30(32)37-41(8,9)10)26(29(27)31(33)38-42(11,12)13)21-14-17-23(18-15-21)35-39(2,3)4/h14-20,26-29H,1-13H3

InChI Key

ZTJDMUHDJBNXSQ-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
Cynodon dactylon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Phenoxy compound
Anisole
Methoxybenzene
Alkyl aryl ether
Trimethylsilyl ester
Monocyclic benzene moiety
Dicarboxylic acid or derivatives
Trialkylheterosilane
Carboxylic acid salt
Organoheterosilane
Organic metalloid salt
Carboxylic acid derivative
Ether
Organic oxygen compound
Organooxygen compound
Organosilicon compound
Organic salt
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic 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	8.48	ChemAxon
pKa (Strongest Basic)	-4.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.29 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	155.67 m³·mol⁻¹	ChemAxon
Polarizability	69.46 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

162872991

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate (NP0328047)

MOL for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

3D MOL for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

3D SDF for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

3D-SDF for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

PDB for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

3D PDB for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

SMILES for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

INCHI for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

Structure for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)

3D Structure for NP0328047 (1,3-ditrimethylsilyl 2-{3-methoxy-4-[(trimethylsilyl)oxy]phenyl}-4-{4-[(trimethylsilyl)oxy]phenyl}cyclobutane-1,3-dicarboxylate)