NP-MRD: Showing NP-Card for (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate (NP0335524)

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Record Information

Version

2.0

Created at

2024-09-11 02:00:10 UTC

Updated at

2024-09-11 02:00:10 UTC

NP-MRD ID

NP0335524

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate

Description

Based on a literature review very few articles have been published on (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262304322D          

 40 44  0  0  0  0            999 V2000
   -2.1427   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585   -2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985   -2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -0.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727   -0.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876    0.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -1.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406   -2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -3.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  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
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 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 35  1  0  0  0  0
 23 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
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END


  Mrv2104 05262304322D          

 40 44  0  0  0  0            999 V2000
   -2.1427   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -1.7846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7253   -1.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -1.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585   -2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -1.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8985   -2.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4278   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8577   -0.1347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1441   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    1.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    1.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    3.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727   -0.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5727    0.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2876    0.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -0.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2876   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5727   -1.3721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4406   -2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2354   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -3.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 21  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 19  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
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 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 35  1  0  0  0  0
 23 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
 27 33  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0335524

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C34H50O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19,24-26,28H,11-18H2,1-9H3,(H,37,38)

> <INCHI_KEY>
NKUPBVVFDCQLGE-UHFFFAOYNA-N

> <FORMULA>
C34H50O6

> <MOLECULAR_WEIGHT>
554.768

> <EXACT_MASS>
554.36073933

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
90

> <JCHEM_AVERAGE_POLARIZABILITY>
63.51126149629804

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10,11-bis(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylic acid

> <JCHEM_LOGP>
5.939915317333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.659392590320448

> <JCHEM_PKA_STRONGEST_BASIC>
-6.707961605575617

> <JCHEM_POLAR_SURFACE_AREA>
89.9

> <JCHEM_REFRACTIVITY>
153.9459

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
10,11-bis(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,7,8,8a,10,11,12,12b,13-dodecahydro-2H-picene-4a-carboxylic 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      -4.000  -2.561   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.334  -3.331   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -2.561   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.001  -3.331   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.354  -2.561   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.333  -1.021   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.103  -2.356   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.104  -0.192   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.104   1.288   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.333   2.058   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.668   1.288   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.002   2.058   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.002   3.598   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.668   4.368   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.656  -4.512   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.665  -3.331   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.677  -4.512   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   0.519   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -1.021   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.665  -0.251   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.000  -1.021   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -5.334  -0.251   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.668  -1.791   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.668  -0.251   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.002  -1.021   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  -0.251   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335   1.288   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.669   2.058   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.669   3.598   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335   4.368   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.335   5.908   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.669  -1.021   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       6.669   0.519   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.004   1.288   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -6.669  -1.021   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.004  -0.251   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -6.669  -2.561   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -6.422  -4.419   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.906  -4.001   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -6.025  -5.908   0.000  0.00  0.00           O+0
CONECT    1    2   16   21                                                  
CONECT    2    1   38                                                       
CONECT    3    4   16   19                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8   24                                             
CONECT    7    6                                                            
CONECT    8    6    9   19                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   24                                                  
CONECT   12   11   13   27                                                  
CONECT   13   12   14   30                                                  
CONECT   14   13                                                            
CONECT   15   16                                                            
CONECT   16    1    3   15   17                                             
CONECT   17   16                                                            
CONECT   18   19                                                            
CONECT   19    3    8   18   20                                             
CONECT   20   19   21                                                       
CONECT   21    1   20   22                                                  
CONECT   22   21   35                                                       
CONECT   23   24                                                            
CONECT   24    6   11   23   25                                             
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   12   26   28   33                                             
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   13   29   31                                                  
CONECT   31   30                                                            
CONECT   32   33                                                            
CONECT   33   27   32   34                                                  
CONECT   34   33                                                            
CONECT   35   22   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38    2   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   88    0
END

View in JSmol

Synonyms

Value	Source
(2XI,3xi)-2,3-dihydroxy-12,18-ursadien-28-Oate diacetate	Generator
(2XI,3xi)-2,3-dihydroxy-12,18-ursadien-28-Oic acid diacetic acid	Generator

Chemical Formula

C₃₄H₅₀O₆

Average Mass

554.7680 Da

Monoisotopic Mass

554.36074 Da

IUPAC Name

10,11-bis(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-octadecahydropicene-4a-carboxylic acid

Traditional Name

10,11-bis(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,7,8,8a,10,11,12,12b,13-dodecahydro-2H-picene-4a-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C5CCC34C)C2=C1C)C(O)=O

InChI Identifier

InChI=1/C34H50O6/c1-19-12-15-34(29(37)38)17-16-32(8)23(27(34)20(19)2)10-11-26-31(7)18-24(39-21(3)35)28(40-22(4)36)30(5,6)25(31)13-14-33(26,32)9/h10,19,24-26,28H,11-18H2,1-9H3,(H,37,38)

InChI Key

NKUPBVVFDCQLGE-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Tricarboxylic acid or derivatives
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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	5.94	ChemAxon
pKa (Strongest Acidic)	4.66	ChemAxon
pKa (Strongest Basic)	-6.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	89.9 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	153.95 m³·mol⁻¹	ChemAxon
Polarizability	63.51 Å³	ChemAxon
Number of Rings	5	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

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 (2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate (NP0335524)

MOL for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

3D MOL for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

3D SDF for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

3D-SDF for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

PDB for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

3D PDB for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

SMILES for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

INCHI for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

Structure for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)

3D Structure for NP0335524 ((2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate)