NP-MRD: Showing NP-Card for 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol (NP0339989)

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Record Information

Version

2.0

Created at

2024-09-12 00:42:30 UTC

Updated at

2024-09-12 00:42:30 UTC

NP-MRD ID

NP0339989

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol

Description

4Œ±-Carboxy-4Œ≤,14Œ±-dimethyl-9Œ≤,19-cyclo-5Œ±-ergost-24(241)-en-3Œ≤-ol belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety. Based on a literature review very few articles have been published on 4Œ±-carboxy-4Œ≤,14Œ±-dimethyl-9Œ≤,19-cyclo-5Œ±-ergost-24(241)-en-3Œ≤-ol.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05252301452D          

 39 43  0  0  1  0            999 V2000
    8.0438    3.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    4.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    3.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    2.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    2.8554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0730    2.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121    1.5048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0037    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    2.2309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9682    1.4549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2803    0.8741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8121    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -0.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.5337    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0857    3.5067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    2.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    2.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  2  0  0  0  0
 21  4  1  0  0  0  0
 27  5  1  6  0  0  0
 28  6  1  1  0  0  0
 29  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 21  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 25 13  1  0  0  0  0
 28 14  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 27 16  1  0  0  0  0
 17 31  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 21 35  1  1  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 27 22  1  0  0  0  0
 23 37  1  0  0  0  0
 28 23  1  0  0  0  0
 23 31  1  0  0  0  0
 24 38  1  0  0  0  0
 29 24  1  0  0  0  0
 24 30  1  0  0  0  0
 25 39  1  6  0  0  0
 25 29  1  0  0  0  0
 25 32  1  0  0  0  0
 29 26  1  1  0  0  0
 26 33  2  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  1  34  -1
M  END


  Mrv2104 05252301452D          

 39 43  0  0  1  0            999 V2000
    8.0438    3.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9157    4.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0311    2.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2685    3.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6083    2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9938    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030    3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3966    2.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8758    0.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636    0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024    1.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5318    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    0.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2803    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    2.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7202    3.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5794    2.8554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0730    2.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561    1.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121    1.5048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0037    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2485    2.2309    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9682    1.4549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2803    0.8741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8121    1.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242    1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    1.3596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8165   -0.0418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250   -0.5337    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0857    3.5067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8833    2.0486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3439    1.1645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3439    2.1355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  2  0  0  0  0
 21  4  1  0  0  0  0
 27  5  1  6  0  0  0
 28  6  1  1  0  0  0
 29  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
 21  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 13 15  1  0  0  0  0
 25 13  1  0  0  0  0
 28 14  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 27 16  1  0  0  0  0
 17 31  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 21 35  1  1  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 27 22  1  0  0  0  0
 23 37  1  0  0  0  0
 28 23  1  0  0  0  0
 23 31  1  0  0  0  0
 24 38  1  0  0  0  0
 29 24  1  0  0  0  0
 24 30  1  0  0  0  0
 25 39  1  6  0  0  0
 25 29  1  0  0  0  0
 25 32  1  0  0  0  0
 29 26  1  1  0  0  0
 26 33  2  0  0  0  0
 26 34  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
M  CHG  1  34  -1
M  END
> <DATABASE_ID>
NP0339989

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](C)(CCC(=C)C(C)C)C1([H])CC[C@]2(C)C3([H])CCC4([H])C5(CC35CC[C@@]12C)CC[C@]([H])(O)[C@]4(C)C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22?,23?,24?,25+,27+,28-,29-,30?,31?/m1/s1

> <INCHI_KEY>
RLRGKMMFFVWPHT-NSBXKSQPSA-M

> <FORMULA>
C31H49O3

> <MOLECULAR_WEIGHT>
469.731

> <EXACT_MASS>
469.368719018

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
56.9146098009772

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6S,7R,12R,16S)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylate

> <JCHEM_LOGP>
7.084307745000002

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.717053632354327

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.563057846231323

> <JCHEM_PKA_STRONGEST_BASIC>
-3.037570665162268

> <JCHEM_POLAR_SURFACE_AREA>
60.36

> <JCHEM_REFRACTIVITY>
148.06359999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(6S,7R,12R,16S)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAY-23         0                                  
HETATM    1  C   UNK     0      15.015   7.130   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.909   8.767   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.125   4.698   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.968   6.757   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.736   5.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.172   1.221   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.855   0.858   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.019   6.335   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.074   5.119   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.501   0.996   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.985   0.725   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.031   2.635   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.993   4.257   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.756   1.771   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.523   4.528   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.071   5.342   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.555   5.071   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.039   4.799   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.490   7.340   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      12.544   6.125   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.548   5.330   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.603   4.114   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.025   2.445   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.993   1.903   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.516   2.809   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.007   0.186   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.064   4.164   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.541   2.716   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.523   1.632   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.516   3.351   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.032   3.622   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -3.032   2.538   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.524  -0.078   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.980  -0.996   0.000  0.00  0.00           O-1
HETATM   35  H   UNK     0       9.493   6.546   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       9.115   3.824   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.509   2.174   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -0.000   3.080   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      -2.509   3.986   0.000  0.00  0.00           H+0
CONECT    1   19                                                            
CONECT    2   19                                                            
CONECT    3   20                                                            
CONECT    4   21                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   29                                                            
CONECT    8    9   20                                                       
CONECT    9    8   21                                                       
CONECT   10   11   23                                                       
CONECT   11   10   24                                                       
CONECT   12   14   22                                                       
CONECT   13   15   25                                                       
CONECT   14   12   28                                                       
CONECT   15   13   30                                                       
CONECT   16   17   27                                                       
CONECT   17   16   31                                                       
CONECT   18   30   31                                                       
CONECT   19    1    2   20                                                  
CONECT   20    3    8   19                                                  
CONECT   21    4    9   35   22                                             
CONECT   22   12   21   36   27                                             
CONECT   23   10   37   28   31                                             
CONECT   24   11   38   29   30                                             
CONECT   25   13   39   29   32                                             
CONECT   26   29   33   34                                                  
CONECT   27    5   16   22   28                                             
CONECT   28    6   14   23   27                                             
CONECT   29    7   24   25   26                                             
CONECT   30   15   18   24   31                                             
CONECT   31   17   18   23   30                                             
CONECT   32   25                                                            
CONECT   33   26                                                            
CONECT   34   26                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   24                                                            
CONECT   39   25                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₉O₃

Average Mass

469.7310 Da

Monoisotopic Mass

469.36872 Da

IUPAC Name

(6S,7R,12R,16S)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylate

Traditional Name

(6S,7R,12R,16S)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(CCC(=C)C(C)C)C1([H])CC[C@]2(C)C3([H])CCC4([H])C5(CC35CC[C@@]12C)CC[C@]([H])(O)[C@]4(C)C([O-])=O

InChI Identifier

InChI=1S/C31H50O3/c1-19(2)20(3)8-9-21(4)22-12-14-28(6)23-10-11-24-29(7,26(33)34)25(32)13-15-30(24)18-31(23,30)17-16-27(22,28)5/h19,21-25,32H,3,8-18H2,1-2,4-7H3,(H,33,34)/p-1/t21-,22?,23?,24?,25+,27+,28-,29-,30?,31?/m1/s1

InChI Key

RLRGKMMFFVWPHT-NSBXKSQPSA-M

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cycloartanols and derivatives. These are steroids containing a cycloartanol moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cycloartanols and derivatives

Direct Parent

Cycloartanols and derivatives

Alternative Parents

Substituents

Cycloartanol-skeleton
Triterpenoid
Cycloartane-skeleton
9b,19-cyclo-lanostane-skeleton
Polyprenol skeleton
3-beta-hydroxysteroid
Hydroxysteroid
3-hydroxysteroid
Carbocyclic fatty acid
Methyl-branched fatty acid
Short-chain hydroxy acid
Hydroxy fatty acid
Branched fatty acid
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Cyclic alcohol
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic anion
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	7.08	ChemAxon
pKa (Strongest Acidic)	4.56	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	60.36 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	148.06 m³·mol⁻¹	ChemAxon
Polarizability	56.91 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Not Available

Showing NP-Card for 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol (NP0339989)

MOL for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

3D MOL for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

3D SDF for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

3D-SDF for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

PDB for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

3D PDB for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

SMILES for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

INCHI for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

Structure for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)

3D Structure for NP0339989 (4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol)