NP-MRD: Showing NP-Card for 9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan (NP0239818)

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Record Information

Version

2.0

Created at

2022-09-06 23:29:14 UTC

Updated at

2022-09-06 23:29:14 UTC

NP-MRD ID

NP0239818

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan

Description

2,6,6,11-Tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),10,12(16),13-tetraene belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. 2,6,6,11-Tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-1(17),10,12(16),13-tetraene is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004251505532D          

 42 49  0  0  0  0            999 V2000
    4.4837    3.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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 13 51  1  0
M  END


  Mrv1533004251505532D          

 42 49  0  0  0  0            999 V2000
    4.4837    3.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2583    3.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8916    3.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503    4.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3835    5.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    4.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7913    5.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    5.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2056    6.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5659    5.1390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7072    4.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0739    3.7974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2994    4.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4407    3.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6661    3.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8074    2.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1742    2.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1434    1.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498    1.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901    1.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3996    2.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3523    0.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8779    0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097    0.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2218    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5021   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3142   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    0.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1271   -0.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945   -0.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0627   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2506   -1.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4385   -1.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1582   -0.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6264   -1.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4801   -1.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7094   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339   -0.2441    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  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
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  3 15  2  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  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
  2 21  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 24 36  1  0  0  0  0
 36 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
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 22 42  1  0  0  0  0
 38 42  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0239818

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C2C=C(OC2=CC2=C1CCC1C(C)(C)CCCC21C)C1(C)C2CCC3C(C)(C)CCCC3(C)C2CC2=C1C=CO2

> <INCHI_IDENTIFIER>
InChI=1S/C40H54O2/c1-24-25-11-13-33-36(2,3)16-9-18-38(33,6)29(25)22-31-26(24)21-35(42-31)40(8)27-12-14-34-37(4,5)17-10-19-39(34,7)30(27)23-32-28(40)15-20-41-32/h15,20-22,27,30,33-34H,9-14,16-19,23H2,1-8H3

> <INCHI_KEY>
ONXKGXXWDOZSTP-UHFFFAOYSA-N

> <FORMULA>
C40H54O2

> <MOLECULAR_WEIGHT>
566.87

> <EXACT_MASS>
566.412380979

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
70.91671127164217

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6,6,11-tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene

> <ALOGPS_LOGP>
8.92

> <JCHEM_LOGP>
10.868085047333334

> <ALOGPS_LOGS>
-5.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5201781254166167

> <JCHEM_POLAR_SURFACE_AREA>
26.28

> <JCHEM_REFRACTIVITY>
183.42880000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,6,6,11-tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       8.370   6.705   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.815   6.175   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.998   7.162   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.734   8.679   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.916   9.666   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.362   9.136   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.544  10.123   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.367  11.116   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.317  11.455   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.990   9.593   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.253   8.075   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      15.071   7.088   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      13.626   7.619   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.889   6.101   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.443   6.632   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.707   5.114   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.525   4.127   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.468   2.588   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.986   2.167   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       9.128   3.446   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.079   4.657   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.456   0.722   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.124   1.495   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.972   0.451   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.965   1.628   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      13.481   1.357   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.004  -0.092   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      15.520  -0.363   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      15.524   1.177   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      17.037  -0.099   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      16.043  -1.811   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      15.050  -2.988   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.534  -2.717   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.011  -1.269   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.019  -2.446   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.495  -0.998   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      10.503  -2.175   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.987  -1.904   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       7.771  -2.849   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       6.496  -1.985   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.924  -0.506   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.463  -0.456   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4   15                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   13                                                  
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    6   14   15                                             
CONECT   14   13                                                            
CONECT   15   13    3   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20    2   17                                                  
CONECT   22   19   23   24   42                                             
CONECT   23   22                                                            
CONECT   24   22   25   36                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   34                                                  
CONECT   28   27   29   30   31                                             
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   28   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   27   35   36                                             
CONECT   35   34                                                            
CONECT   36   34   24   37                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   42                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   22   38                                                  
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₅₄O₂

Average Mass

566.8700 Da

Monoisotopic Mass

566.41238 Da

IUPAC Name

2,6,6,11-tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene

Traditional Name

2,6,6,11-tetramethyl-14-{2,6,6,11-tetramethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-12(16),13-dien-11-yl}-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadeca-1(10),11,13,16-tetraene

CAS Registry Number

Not Available

SMILES

CC1=C2C=C(OC2=CC2=C1CCC1C(C)(C)CCCC21C)C1(C)C2CCC3C(C)(C)CCCC3(C)C2CC2=C1C=CO2

InChI Identifier

InChI=1S/C40H54O2/c1-24-25-11-13-33-36(2,3)16-9-18-38(33,6)29(25)22-31-26(24)21-35(42-31)40(8)27-12-14-34-37(4,5)17-10-19-39(34,7)30(27)23-32-28(40)15-20-41-32/h15,20-22,27,30,33-34H,9-14,16-19,23H2,1-8H3

InChI Key

ONXKGXXWDOZSTP-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Phenanthrene
Naphthofuran
Tetralin
Benzofuran
Benzenoid
Heteroaromatic compound
Furan
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Hydrocarbon derivative
Organooxygen 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	8.92	ALOGPS
logP	10.87	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.28 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	183.43 m³·mol⁻¹	ChemAxon
Polarizability	70.92 Å³	ChemAxon
Number of Rings	8	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan (NP0239818)

MOL for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

3D MOL for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

3D SDF for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

3D-SDF for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

PDB for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

3D PDB for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

SMILES for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

INCHI for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

Structure for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)

3D Structure for NP0239818 (9-{4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-7-yl}-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan)