NP-MRD: Showing NP-Card for (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one (NP0049408)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-03-17 21:12:04 UTC

Updated at

2022-03-17 21:12:04 UTC

NP-MRD ID

NP0049408

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one

Description

(2Alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one, also known as 25-methyldiolichosterone, belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-tetrahydroxy-25-methylergost-24(28)en-6-one has been detected, but not quantified in, several different foods, such as common beans, green beans, pulses, and yellow wax beans. This could make (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-tetrahydroxy-25-methylergost-24(28)en-6-one a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241208572D          

 34 37  0  0  0  0            999 V2000
   -1.5993   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -3.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   -3.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -2.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893   -1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460   -3.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818   -4.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -1.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968   -1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668    3.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    3.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    3.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    2.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944   -0.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  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
 17 18  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 23  1  0  0  0  0
 22 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 28  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END


  Mrv0541 02241208572D          

 34 37  0  0  0  0            999 V2000
   -1.5993   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1743   -0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -1.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6661   -2.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -3.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2410   -3.5281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -2.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893   -1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2717   -2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8460   -3.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6818   -4.1848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3535   -0.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -1.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6968   -1.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7792   -0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    0.8205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6150    1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    0.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9285    0.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5026   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    2.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    1.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384    1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2410    1.1488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6000    4.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668    3.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0101    3.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    3.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893    2.0514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9944   -0.6563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 21  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
 17 18  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 23  1  0  0  0  0
 22 27  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  1  0  0  0  0
 27 28  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0049408

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C(O)C(O)C(=C)C(C)(C)C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C

> <INCHI_IDENTIFIER>
InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3

> <INCHI_KEY>
HAOQPQZVDMAOKT-UHFFFAOYSA-N

> <FORMULA>
C29H48O5

> <MOLECULAR_WEIGHT>
476.6884

> <EXACT_MASS>
476.350174646

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
55.53066001980978

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

> <ALOGPS_LOGP>
3.05

> <JCHEM_LOGP>
3.5319738229999995

> <ALOGPS_LOGS>
-4.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.971860125771833

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.30191133524102

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1530299910083173

> <JCHEM_POLAR_SURFACE_AREA>
97.99000000000001

> <JCHEM_REFRACTIVITY>
133.3965

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
14-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.985  -0.458   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.059  -1.684   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.752  -3.216   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.977  -4.134   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.824  -5.666   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -6.050  -6.586   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -0.994  -4.595   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.220  -3.675   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.374  -5.207   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.446  -6.279   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -3.139  -7.812   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.527  -1.225   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.148  -0.458   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.302  -1.990   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.230  -2.910   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.301  -2.449   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.455  -0.919   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.381  -0.001   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.381   1.532   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.148   1.990   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.067   0.765   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.600   0.919   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.672  -0.306   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.050   4.901   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.518   5.054   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.752   3.675   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.365   2.297   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       6.050   2.144   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       2.987   7.812   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.978   7.199   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.752   6.433   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.067   6.127   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       2.220   3.829   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -5.590  -1.225   0.000  0.00  0.00           O+0
CONECT    1    2   17                                                       
CONECT    2    1    3   34                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5                                                            
CONECT    7    8                                                            
CONECT    8    3    7    9   16                                             
CONECT    9    8   10                                                       
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12   13                                                            
CONECT   13   12   14   18   21                                             
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16    8   15   17                                                  
CONECT   17    1   16   18                                                  
CONECT   18   13   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   13   20   22                                                  
CONECT   22   21   23   27                                                  
CONECT   23   22                                                            
CONECT   24   25                                                            
CONECT   25   24   26   31                                                  
CONECT   26   25   27   33                                                  
CONECT   27   22   26   28                                                  
CONECT   28   27                                                            
CONECT   29   31                                                            
CONECT   30   31                                                            
CONECT   31   25   29   30   32                                             
CONECT   32   31                                                            
CONECT   33   26                                                            
CONECT   34    2                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Value	Source
(2a,3a,5a,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one	Generator
(2Α,3α,5α,22R,23R)-2,3,22,23-tetrahydroxy-25-methylergost-24(28)en-6-one	Generator
25-Methyldiolichosterone	HMDB
25-Methyldolichosterone	HMDB

Chemical Formula

C₂₉H₄₈O₅

Average Mass

476.6884 Da

Monoisotopic Mass

476.35017 Da

IUPAC Name

14-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

Traditional Name

14-(3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl)-4,5-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-one

CAS Registry Number

111618-87-2

SMILES

CC(C(O)C(O)C(=C)C(C)(C)C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C

InChI Identifier

InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3

InChI Key

HAOQPQZVDMAOKT-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Phaseolus vulgaris	FooDB	KNAPSACK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tetrahydroxy bile acids, alcohols and derivatives. These are prenol lipids structurally characterized by a bile acid or alcohol which bears four hydroxyl groups.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Bile acids, alcohols and derivatives

Direct Parent

Tetrahydroxy bile acids, alcohols and derivatives

Alternative Parents

Substituents

Ergosterol-skeleton
Ergostane-skeleton
Tetrahydroxy bile acid, alcohol, or derivatives
Ecdysteroid
23-hydroxysteroid
22-hydroxysteroid
3-hydroxysteroid
2-hydroxysteroid
Hydroxysteroid
Oxosteroid
6-oxosteroid
Cyclic alcohol
Ketone
Secondary alcohol
Hydrocarbon derivative
Alcohol
Organic oxide
Organic oxygen compound
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	3.05	ALOGPS
logP	3.53	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	13.3	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	97.99 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	133.4 m³·mol⁻¹	ChemAxon
Polarizability	55.53 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0039443

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB019040

KNApSAcK ID

C00000196

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

13991214

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one (NP0049408)

MOL for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

3D MOL for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

3D SDF for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

3D-SDF for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

PDB for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

3D PDB for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

SMILES for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

INCHI for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

Structure for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)

3D Structure for NP0049408 ((2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one)