NP-MRD: Showing NP-Card for 3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid (NP0332606)

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Record Information

Version

2.0

Created at

2024-03-08 20:11:16 UTC

Updated at

2024-09-03 04:19:45 UTC

NP-MRD ID

NP0332606

Natural Product DOI

https://doi.org/10.57994/1866

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01062321382D          

 43 42  0  0  0  0            999 V2000
  -14.6723   12.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9578   12.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9578   11.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2434   11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2434   10.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5289   10.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5289    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8144    8.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8144    8.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0999    7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0999    6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3855    6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3855    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6710    5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6710    4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9565    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9565    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2421    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2421    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5276    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8131    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0987    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3842    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  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
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  4  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
 23 22  1  4  0  0  0
 23 24  2  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
 29 30  1  0  0  0  0
 31 30  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  4  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END


  Mrv2104 01062321382D          

 43 42  0  0  0  0            999 V2000
  -14.6723   12.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9578   12.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9578   11.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2434   11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2434   10.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5289   10.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5289    9.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8144    8.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8144    8.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0999    7.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0999    6.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3855    6.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3855    5.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6710    5.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6710    4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9565    3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9565    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2421    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2421    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5276    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8131    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0987    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3842    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6697    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9552    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  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
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  4  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
 23 22  1  4  0  0  0
 23 24  2  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
 29 30  1  0  0  0  0
 31 30  1  4  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 39 38  1  4  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332606

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=CCCCCCCC=CCCCCCCC=CCCCC=CCCCCCCC=CCCCCCCC=CCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C43H74/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-4,6-7,9,20,22-23,25,36,38-39,41H,1,5,8,10-19,21,24,26-35,37,40,42-43H2,2H3

> <INCHI_KEY>
BKXOMUSQUKODEL-UHFFFAOYSA-N

> <FORMULA>
C43H74

> <MOLECULAR_WEIGHT>
591.065

> <EXACT_MASS>
590.579052383

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
117

> <JCHEM_AVERAGE_POLARIZABILITY>
84.7840883943377

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tritetraconta-1,4,12,20,25,33,41-heptaene

> <JCHEM_LOGP>
17.104660571333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
206.3889

> <JCHEM_ROTATABLE_BOND_COUNT>
34

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tritetraconta-1,4,12,20,25,33,41-heptaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-JAN-23         0                                  
HETATM    1  C   UNK     0     -27.388  24.227   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -26.055  23.457   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -26.055  21.917   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -24.721  21.147   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -24.721  19.607   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -23.387  18.837   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -23.387  17.297   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -22.054  16.527   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -22.054  14.987   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -20.720  14.217   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -20.720  12.677   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -19.386  11.907   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -19.386  10.367   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -18.053   9.597   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -18.053   8.057   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -16.719   7.287   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -16.719   5.747   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -15.385   4.977   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -15.385   3.437   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -14.052   2.667   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -12.718   3.437   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -11.384   2.667   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -10.050   3.437   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.717   2.667   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.383   3.437   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.049   2.667   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.716   3.437   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.382   2.667   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.048   3.437   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.715   2.667   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.619   3.437   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.953   2.667   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      11.288   3.437   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.622   2.667   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      13.956   3.437   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      15.289   2.667   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      16.623   3.437   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₄O₄

Average Mass

432.6450 Da

Monoisotopic Mass

432.32396 Da

IUPAC Name

tritetraconta-1,4,12,20,25,33,41-heptaene

Traditional Name

tritetraconta-1,4,12,20,25,33,41-heptaene

CAS Registry Number

Not Available

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@](C)(C(O)=O)[C@]2([H])C(C)=O

InChI Identifier

InChI=1S/C27H44O4/c1-16(28)21-17-8-9-19-24(4)12-11-20(29)23(2,3)18(24)10-13-27(19,7)26(17,6)15-14-25(21,5)22(30)31/h17-21,29H,8-15H2,1-7H3,(H,30,31)/t17-,18+,19-,20+,21-,24+,25-,26-,27-/m1/s1

InChI Key

BQIACKUVMRPRQY-MIGYPBRWSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	17.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	34	ChemAxon
Refractivity	206.39 m³·mol⁻¹	ChemAxon
Polarizability	84.78 Å³	ChemAxon
Number of Rings	0	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

Not Available

References

General References

Not Available

Showing NP-Card for 3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid (NP0332606)

MOL for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

3D MOL for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

3D SDF for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

3D-SDF for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

PDB for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

3D PDB for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

SMILES for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

INCHI for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

Structure for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)

3D Structure for NP0332606 (3β-hydroxy-19-oxo-20,21-seco-19-norlupan-21-oic acid)