NP-MRD: Showing NP-Card for 3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid (NP0323661)

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Record Information

Version

2.0

Created at

2022-09-12 03:13:54 UTC

Updated at

2022-09-12 03:13:54 UTC

NP-MRD ID

NP0323661

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid

Description

5-(Acetyloxy)-8,9-bis(benzoyloxy)-7-hydroxy-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-diene-6-carboxylic acid belongs to the class of organic compounds known as hydroxysteroids. Hydroxysteroids are compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group. 3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid is found in Caesalpinia pulcherrima. Based on a literature review very few articles have been published on 5-(acetyloxy)-8,9-bis(benzoyloxy)-7-hydroxy-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]Heptadeca-12(16),13-diene-6-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122205132D          

 46 51  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309122205132D          

 46 51  0  0  0  0            999 V2000
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    2.0584   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3387   -2.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8705   -1.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6826   -1.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3340   -1.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0168   -1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -2.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -2.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4311   -3.2741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7114   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190   -3.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872   -3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3675   -4.5355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1796   -4.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806   -4.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4599   -5.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2720   -5.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5523   -6.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0205   -7.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2084   -6.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9281   -6.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751   -3.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -4.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0235   -5.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357   -5.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -5.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7720   -6.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402   -7.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719   -6.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8522   -6.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -5.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9948   -2.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630   -3.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1827   -2.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092   -3.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2319   -2.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -3.8171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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
  7  8  1  0  0  0  0
  8  9  1  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 19  1  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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 20 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 30 40  1  0  0  0  0
  8 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0323661

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(OC(=O)C3=CC=CC=C3)C(OC(=O)C3=CC=CC=C3)C3(O)C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C2CC2=C1C=CO2

> <INCHI_IDENTIFIER>
InChI=1S/C36H38O10/c1-20-24-16-18-43-26(24)19-25-28(20)29(45-31(38)22-11-7-5-8-12-22)30(46-32(39)23-13-9-6-10-14-23)36(42)34(25,3)17-15-27(44-21(2)37)35(36,4)33(40)41/h5-14,16,18,20,25,27-30,42H,15,17,19H2,1-4H3,(H,40,41)

> <INCHI_KEY>
GBTLVSSBBNBMQD-UHFFFAOYSA-N

> <FORMULA>
C36H38O10

> <MOLECULAR_WEIGHT>
630.69

> <EXACT_MASS>
630.246497424

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
65.28757923369787

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(acetyloxy)-8,9-bis(benzoyloxy)-7-hydroxy-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-diene-6-carboxylic acid

> <JCHEM_LOGP>
5.820231729333331

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.002743836879496

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.26564703632813

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8204293053909084

> <JCHEM_POLAR_SURFACE_AREA>
149.57000000000002

> <JCHEM_REFRACTIVITY>
163.17480000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-(acetyloxy)-8,9-bis(benzoyloxy)-7-hydroxy-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-12(16),13-diene-6-carboxylic acid

> <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      -3.737  -1.588   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.221  -1.859   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.229  -0.682   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      -1.698  -3.308   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.182  -3.579   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.810  -2.402   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.326  -2.673   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.850  -4.121   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.842  -2.944   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.366  -4.392   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.358  -3.215   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.874  -3.486   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.090  -2.541   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       9.365  -3.405   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.937  -4.884   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.398  -4.934   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.405  -6.112   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.928  -7.560   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.889  -5.841   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.896  -7.018   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.419  -8.466   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.935  -8.737   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       7.430  -8.368   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.458 -10.186   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.974 -10.457   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.498 -11.905   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.505 -13.082   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.989 -12.811   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.466 -11.363   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.380  -6.747   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       1.387  -7.924   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       1.911  -9.372   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.427  -9.644   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       0.918 -10.550   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.441 -11.998   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.448 -13.176   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.068 -12.904   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -1.591 -11.456   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -0.598 -10.279   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.857  -5.298   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.864  -6.476   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       0.341  -5.027   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       0.017  -6.533   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -1.088  -5.601   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -2.300  -4.650   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -1.306  -7.125   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   42                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   40                                             
CONECT    9    8                                                            
CONECT   10    8   11   19                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12   17                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   10   20                                                  
CONECT   20   19   21   30                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   24                                                       
CONECT   30   20   31   40                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   34                                                       
CONECT   40   30    8   41   42                                             
CONECT   41   40                                                            
CONECT   42   40    5   43   44                                             
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44                                                            
MASTER        0    0    0    0    0    0    0    0   46    0  102    0
END

View in JSmol

Synonyms

Value	Source
5-(Acetyloxy)-8,9-bis(benzoyloxy)-7-hydroxy-2,6,11-trimethyl-15-oxatetracyclo[8.7.0.0,.0,]heptadeca-12(16),13-diene-6-carboxylate	Generator

Chemical Formula

C₃₆H₃₈O₁₀

Average Mass

630.6900 Da

Monoisotopic Mass

630.24650 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1C2C(OC(=O)C3=CC=CC=C3)C(OC(=O)C3=CC=CC=C3)C3(O)C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C2CC2=C1C=CO2

InChI Identifier

InChI=1S/C36H38O10/c1-20-24-16-18-43-26(24)19-25-28(20)29(45-31(38)22-11-7-5-8-12-22)30(46-32(39)23-13-9-6-10-14-23)36(42)34(25,3)17-15-27(44-21(2)37)35(36,4)33(40)41/h5-14,16,18,20,25,27-30,42H,15,17,19H2,1-4H3,(H,40,41)

InChI Key

GBTLVSSBBNBMQD-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
Caesalpinia pulcherrima	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxysteroids. Hydroxysteroids are compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Hydroxysteroids

Direct Parent

Hydroxysteroids

Alternative Parents

Substituents

Diterpenoid
8-hydroxysteroid
15-hydroxysteroid
Hydroxysteroid
Tetracarboxylic acid or derivatives
Naphthofuran
Benzoate ester
Benzofuran
Benzoic acid or derivatives
Benzoyl
Monocyclic benzene moiety
Benzenoid
Furan
Cyclic alcohol
Heteroaromatic compound
Tertiary alcohol
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
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

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

85211279

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid (NP0323661)

MOL for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

3D MOL for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

3D SDF for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

3D-SDF for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

PDB for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

3D PDB for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

SMILES for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

INCHI for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

Structure for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)

3D Structure for NP0323661 (3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid)