NP-MRD: Showing NP-Card for 14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid (NP0286482)

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Record Information

Version

2.0

Created at

2022-09-09 15:04:44 UTC

Updated at

2022-09-09 15:04:44 UTC

NP-MRD ID

NP0286482

Secondary Accession Numbers

None

Natural Product Identification

Common Name

14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid

Description

14-Bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]Pentadeca-3(8),4,6,11-tetraene-5-carboxylic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid is found in Callophycus serratus. 14-Bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]Pentadeca-3(8),4,6,11-tetraene-5-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004181502442D          

 33 36  0  0  0  0            999 V2000
    0.9182   -4.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -3.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158   -4.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397   -4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873   -4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113   -4.2493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -3.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993   -3.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -2.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -3.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894   -2.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -2.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -2.2414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253    0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503    0.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859   -1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7378   -1.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673   -1.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2954   -3.0457    0.0000 O   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
  2  4  1  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 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  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 14 30  1  0  0  0  0
 20 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END


  Mrv1533004181502442D          

 33 36  0  0  0  0            999 V2000
    0.9182   -4.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8654   -3.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1158   -4.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397   -4.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3873   -4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2113   -4.2493    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -3.4740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7993   -3.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -2.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1870   -3.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1894   -2.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -2.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897   -1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474   -2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6014   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034   -2.2414    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0226   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8109   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253    0.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503    0.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6647   -0.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530   -0.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0578   -0.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8742   -1.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0859   -1.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4811   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7378   -1.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4790   -2.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2673   -1.9983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2954   -3.0457    0.0000 O   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
  2  4  1  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
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 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  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 14 30  1  0  0  0  0
 20 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286482

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(O)CCC(Br)C(C)(C)C1CCC1(C)C(Br)CC=C2COC3=CC=C(C=C3CC12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H36Br2O4/c1-25(2)21(27(4,32)12-10-22(25)28)9-11-26(3)19-14-18-13-16(24(30)31)5-7-20(18)33-15-17(19)6-8-23(26)29/h5-7,13,19,21-23,32H,8-12,14-15H2,1-4H3,(H,30,31)

> <INCHI_KEY>
HKJSNLGQALZKKO-UHFFFAOYSA-N

> <FORMULA>
C27H36Br2O4

> <MOLECULAR_WEIGHT>
584.389

> <EXACT_MASS>
582.098036

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
55.62918788534637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid

> <ALOGPS_LOGP>
6.69

> <JCHEM_LOGP>
6.407162484333334

> <ALOGPS_LOGS>
-6.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.7703411194178

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.3526503782445145

> <JCHEM_PKA_STRONGEST_BASIC>
-2.899252794373914

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
139.21249999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.01e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-APR-15         0                                  
HETATM    1  C   UNK     0       1.714  -8.632   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.486  -7.702   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.615  -6.654   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.216  -9.072   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.754  -9.149   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.590  -7.855   0.000  0.00  0.00           C+0
HETATM    7 Br   UNK     0      -4.128  -7.932   0.000  0.00  0.00          Br+0
HETATM    8  C   UNK     0      -1.887  -6.485   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.359  -6.031   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.696  -4.957   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.349  -6.408   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.354  -5.038   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.892  -4.961   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.594  -3.590   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.822  -4.520   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.123  -3.137   0.000  0.00  0.00           C+0
HETATM   17 Br   UNK     0      -0.006  -4.184   0.000  0.00  0.00          Br+0
HETATM   18  C   UNK     0       0.780  -1.635   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.909  -0.588   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.380  -1.042   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.341   0.162   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.881   0.162   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.841  -1.042   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.312  -0.588   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.441  -1.635   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.099  -3.137   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.627  -3.590   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.498  -2.543   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.111  -3.211   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.723  -2.543   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.227  -4.184   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      11.699  -3.730   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       9.885  -5.685   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   11                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8    2   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   30                                             
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   30                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   23   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   14   20                                                  
CONECT   31   26   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

View in JSmol

Synonyms

Value	Source
14-Bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0,]pentadeca-3(8),4,6,11-tetraene-5-carboxylate	Generator
14-Bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3(8),4,6,11-tetraene-5-carboxylate	Generator

Chemical Formula

C₂₇H₃₆Br₂O₄

Average Mass

584.3890 Da

Monoisotopic Mass

582.09804 Da

IUPAC Name

14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid

Traditional Name

14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1(O)CCC(Br)C(C)(C)C1CCC1(C)C(Br)CC=C2COC3=CC=C(C=C3CC12)C(O)=O

InChI Identifier

InChI=1S/C27H36Br2O4/c1-25(2)21(27(4,32)12-10-22(25)28)9-11-26(3)19-14-18-13-16(24(30)31)5-7-20(18)33-15-17(19)6-8-23(26)29/h5-7,13,19,21-23,32H,8-12,14-15H2,1-4H3,(H,30,31)

InChI Key

HKJSNLGQALZKKO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Callophycus serratus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Benzoxepine
Alkyl aryl ether
Cyclohexyl halide
Cyclohexanol
Benzenoid
Cyclic alcohol
Tertiary alcohol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Ether
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Alkyl bromide
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Alkyl halide
Organohalogen compound
Organobromide
Organooxygen compound
Organic oxide
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	6.69	ALOGPS
logP	6.41	ChemAxon
logS	-6.5	ALOGPS
pKa (Strongest Acidic)	4.35	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	139.21 m³·mol⁻¹	ChemAxon
Polarizability	55.63 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	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

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

74065853

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid (NP0286482)

MOL for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

3D MOL for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

3D SDF for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

3D-SDF for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

PDB for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

3D PDB for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

SMILES for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

INCHI for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

Structure for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)

3D Structure for NP0286482 (14-bromo-15-[2-(3-bromo-6-hydroxy-2,2,6-trimethylcyclohexyl)ethyl]-15-methyl-9-oxatricyclo[9.4.0.0³,⁸]pentadeca-3,5,7,11-tetraene-5-carboxylic acid)