NP-MRD: Showing NP-Card for (5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione (NP0282002)

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Record Information

Version

2.0

Created at

2022-09-09 08:39:53 UTC

Updated at

2022-09-09 08:39:53 UTC

NP-MRD ID

NP0282002

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione

Description

(5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]Trideca-3,10,12-triene-2,9-dione belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Based on a literature review very few articles have been published on (5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]Trideca-3,10,12-triene-2,9-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092210392D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092210392D          

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   -1.2246    5.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9768    5.9388    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6670    4.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8685    3.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261    4.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6624    6.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1588    6.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012    6.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6376    5.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    6.3461    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2952    4.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6770    3.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2850    4.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719    4.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    4.6641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5011    5.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1091    6.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7142    5.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    6.5226    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.1061    5.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  1  0  0  0
  2 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 23 31  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 33 40  1  0  0  0  0
 32 41  2  0  0  0  0
 14 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 42 49  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0282002

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C=C1Br)C1=C(C2=CC=C(O)C(Br)=C2)[C@@]2(OC(=O)C=C2C2=CC(Br)=C(O)C(Br)=C2)O[C@]11OC(=O)C=C1C1=CC(Br)=C(O)C(Br)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H16Br6O9/c35-19-5-13(1-3-25(19)41)29-30(14-2-4-26(42)20(36)6-14)34(18(12-28(44)48-34)16-9-23(39)32(46)24(40)10-16)49-33(29)17(11-27(43)47-33)15-7-21(37)31(45)22(38)8-15/h1-12,41-42,45-46H/t33-,34-/m0/s1

> <INCHI_KEY>
GWTCUZJULQDLKM-HEVIKAOCSA-N

> <FORMULA>
C34H16Br6O9

> <MOLECULAR_WEIGHT>
1047.917

> <EXACT_MASS>
1041.58946

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
77.23417935561972

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4^{7}.2^{5}]trideca-3,10,12-triene-2,9-dione

> <JCHEM_LOGP>
11.792640312333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.6990670379723145

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.131164027592949

> <JCHEM_PKA_STRONGEST_BASIC>
-4.668954380256458

> <JCHEM_POLAR_SURFACE_AREA>
142.75

> <JCHEM_REFRACTIVITY>
200.77769999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4^{7}.2^{5}]trideca-3,10,12-triene-2,9-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  O   UNK     0       7.277   5.236   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.747   5.061   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.989   3.721   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.480   4.027   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.345   2.986   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.679   1.483   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.544   0.442   0.000  0.00  0.00           C+0
HETATM    8 Br   UNK     0       1.878  -1.061   0.000  0.00  0.00          Br+0
HETATM    9  C   UNK     0       0.075   0.904   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -1.060  -0.136   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -0.259   2.408   0.000  0.00  0.00           C+0
HETATM   12 Br   UNK     0      -1.728   2.870   0.000  0.00  0.00          Br+0
HETATM   13  C   UNK     0       0.876   3.449   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.305   5.557   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       4.706   6.196   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.086   5.038   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.863   6.053   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.503   4.652   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.368   3.611   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.034   2.972   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -0.973   4.369   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.667   5.878   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.708   7.013   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.211   6.679   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.252   7.814   0.000  0.00  0.00           C+0
HETATM   26 Br   UNK     0      -5.755   7.480   0.000  0.00  0.00          Br+0
HETATM   27  C   UNK     0      -3.789   9.283   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -4.830  10.418   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.286   9.617   0.000  0.00  0.00           C+0
HETATM   30 Br   UNK     0      -1.823  11.086   0.000  0.00  0.00          Br+0
HETATM   31  C   UNK     0      -1.245   8.482   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.621   7.394   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.982   8.795   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.876  10.049   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.237  11.450   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.296  11.597   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.936  12.998   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -1.190  10.343   0.000  0.00  0.00           C+0
HETATM   39 Br   UNK     0      -1.524  11.846   0.000  0.00  0.00          Br+0
HETATM   40  C   UNK     0      -0.551   8.942   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.130   7.087   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.265   8.128   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       5.734   7.665   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.869   8.706   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.535  10.210   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       7.670  11.251   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       5.066  10.672   0.000  0.00  0.00           C+0
HETATM   48 Br   UNK     0       4.733  12.176   0.000  0.00  0.00          Br+0
HETATM   49  C   UNK     0       3.931   9.631   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   15                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6   13                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11    5                                                       
CONECT   14    4   15   16   41                                             
CONECT   15   14    2                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18   22   32                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   17   23                                                  
CONECT   23   22   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   23                                                       
CONECT   32   17   33   41                                                  
CONECT   33   32   34   40                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   33                                                       
CONECT   41   32   14   42                                                  
CONECT   42   41   43   49                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   42                                                       
MASTER        0    0    0    0    0    0    0    0   49    0  110    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₁₆Br₆O₉

Average Mass

1047.9170 Da

Monoisotopic Mass

1041.58946 Da

IUPAC Name

(5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4^{7}.2^{5}]trideca-3,10,12-triene-2,9-dione

Traditional Name

(5R,7R)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4^{7}.2^{5}]trideca-3,10,12-triene-2,9-dione

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1Br)C1=C(C2=CC=C(O)C(Br)=C2)[C@@]2(OC(=O)C=C2C2=CC(Br)=C(O)C(Br)=C2)O[C@]11OC(=O)C=C1C1=CC(Br)=C(O)C(Br)=C1

InChI Identifier

InChI=1S/C34H16Br6O9/c35-19-5-13(1-3-25(19)41)29-30(14-2-4-26(42)20(36)6-14)34(18(12-28(44)48-34)16-9-23(39)32(46)24(40)10-16)49-33(29)17(11-27(43)47-33)15-7-21(37)31(45)22(38)8-15/h1-12,41-42,45-46H/t33-,34-/m0/s1

InChI Key

GWTCUZJULQDLKM-HEVIKAOCSA-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 stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Stilbenes

Sub Class

Not Available

Direct Parent

Stilbenes

Alternative Parents

Substituents

Stilbene
2-halophenol
2-bromophenol
1-hydroxy-2-unsubstituted benzenoid
Ketal
Bromobenzene
Halobenzene
Phenol
Aryl bromide
Aryl halide
Monocyclic benzene moiety
2-furanone
Benzenoid
Dicarboxylic acid or derivatives
Alpha,beta-unsaturated carboxylic ester
Dihydrofuran
Enoate ester
Carboxylic acid ester
Lactone
Acetal
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organobromide
Organohalogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	11.79	ChemAxon
pKa (Strongest Acidic)	6.13	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	142.75 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	200.78 m³·mol⁻¹	ChemAxon
Polarizability	77.23 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

10208269

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21589555

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione (NP0282002)

MOL for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

3D MOL for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

3D SDF for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

3D-SDF for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

PDB for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

3D PDB for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

SMILES for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

INCHI for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

Structure for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)

3D Structure for NP0282002 ((5r,7r)-12,13-bis(3-bromo-4-hydroxyphenyl)-4,11-bis(3,5-dibromo-4-hydroxyphenyl)-1,6,8-trioxadispiro[4.1.4⁷.2⁵]trideca-3,10,12-triene-2,9-dione)