NP-MRD: Showing NP-Card for 3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid (NP0335090)

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Record Information

Version

2.0

Created at

2024-09-10 23:51:03 UTC

Updated at

2024-09-10 23:51:03 UTC

NP-MRD ID

NP0335090

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid

Description

Based on a literature review very few articles have been published on 3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262302232D          

 41 44  0  0  0  0            999 V2000
   -2.1036    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885    0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829   -2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5882   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    0.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -2.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5055    0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5055    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7633    1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2381   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083   -1.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    2.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2381    0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 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 31  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END


  Mrv2104 05262302232D          

 41 44  0  0  0  0            999 V2000
   -2.1036    1.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2885    0.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7829   -2.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1953   -1.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0202   -2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5153   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403   -1.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8354   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5882   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9482    0.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    0.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2682   -2.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787   -0.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606   -0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036    0.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -0.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460    0.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5055    0.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5055    1.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    1.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7633    1.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2682    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2381   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603   -1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9083   -1.9387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    1.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433    2.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2381    0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486    0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486   -0.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 19 37  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 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 31  1  0  0  0  0
 29 40  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335090

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C(O)C\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+

> <INCHI_KEY>
XITBGHDSLKRVMR-VXLYETTFNA-N

> <FORMULA>
C34H50O7

> <MOLECULAR_WEIGHT>
570.767

> <EXACT_MASS>
570.35565395

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
91

> <JCHEM_AVERAGE_POLARIZABILITY>
64.8221086590874

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid

> <JCHEM_LOGP>
4.879118419999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.423220633508734

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.342427644902111

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8640856032476363

> <JCHEM_POLAR_SURFACE_AREA>
110.13

> <JCHEM_REFRACTIVITY>
158.78950000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -3.927   2.078   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.540   2.848   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.309   2.232   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.154   0.692   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.230  -0.077   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.539   1.462   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.461  -4.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.231  -3.619   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.771  -3.926   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.695  -2.695   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.235  -3.002   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.159  -1.925   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.698  -0.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.770   0.229   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.540  -1.001   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.616  -2.232   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.230  -1.616   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.078  -3.156   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.694   1.462   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       4.234  -5.312   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.154  -2.232   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.387  -1.616   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.540  -0.077   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.927   0.538   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.388  -1.001   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.313   0.077   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.544   0.846   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -6.544   2.386   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.931   3.002   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -6.082   4.387   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.158   3.156   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.234   4.387   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       9.778  -1.155   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.699  -2.232   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.162  -3.619   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.543   3.310   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.694   3.310   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.694   5.312   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -9.778   1.154   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -7.931   1.154   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -7.931  -0.692   0.000  0.00  0.00           C+0
CONECT    1    2   24   31                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6   14   17                                             
CONECT    6    5                                                            
CONECT    7    8                                                            
CONECT    8    7    9   16                                                  
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   34                                                  
CONECT   13   12                                                            
CONECT   14    5   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16    8   15   17                                                  
CONECT   17    5   16   18   21                                             
CONECT   18   17                                                            
CONECT   19   14   37                                                       
CONECT   20    9                                                            
CONECT   21   17   22                                                       
CONECT   22   21   23                                                       
CONECT   23    4   22   24                                                  
CONECT   24    1   23   25   26                                             
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   40                                                       
CONECT   30   31                                                            
CONECT   31    1   28   30   32                                             
CONECT   32   31                                                            
CONECT   33   34                                                            
CONECT   34   12   33   35                                                  
CONECT   35   34                                                            
CONECT   36   37                                                            
CONECT   37   19   36   38                                                  
CONECT   38   37                                                            
CONECT   39   40                                                            
CONECT   40   29   39   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   88    0
END

View in JSmol

Synonyms

Value	Source
3a,15a-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate	Generator
3a,15a-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oic acid	Generator
3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate	Generator
3Α,15α-diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oate	Generator
3Α,15α-diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-Oic acid	Generator

Chemical Formula

C₃₄H₅₀O₇

Average Mass

570.7670 Da

Monoisotopic Mass

570.35565 Da

IUPAC Name

(2E)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid

Traditional Name

(2E)-6-[3,7-bis(acetyloxy)-3a,6,6,9a,11a-pentamethyl-1H,2H,3H,5H,5aH,7H,8H,9H,11H-cyclopenta[a]phenanthren-1-yl]-5-hydroxy-2-methylhept-2-enoic acid

CAS Registry Number

Not Available

SMILES

CC(C(O)C\C=C(/C)C(O)=O)C1CC(OC(C)=O)C2(C)C3=CCC4C(C)(C)C(CCC4(C)C3=CCC12C)OC(C)=O

InChI Identifier

InChI=1/C34H50O7/c1-19(30(38)39)10-12-26(37)20(2)25-18-29(41-22(4)36)34(9)24-11-13-27-31(5,6)28(40-21(3)35)15-16-32(27,7)23(24)14-17-33(25,34)8/h10-11,14,20,25-29,37H,12-13,15-18H2,1-9H3,(H,38,39)/b19-10+

InChI Key

XITBGHDSLKRVMR-VXLYETTFNA-N

Experimental Spectra

Not Available

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	4.88	ChemAxon
pKa (Strongest Acidic)	4.34	ChemAxon
pKa (Strongest Basic)	-0.86	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	110.13 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	158.79 m³·mol⁻¹	ChemAxon
Polarizability	64.82 Å³	ChemAxon
Number of Rings	4	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 3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid (NP0335090)

MOL for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

3D MOL for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

3D SDF for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

3D-SDF for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

PDB for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

3D PDB for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

SMILES for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

INCHI for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

Structure for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)

3D Structure for NP0335090 (3alpha,15alpha-Diacetoxy-(22R)-hydroxylanosta-7,9(11),24-trien-26-oic acid)