NP-MRD: Showing NP-Card for 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol (NP0338686)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2024-09-11 17:00:04 UTC

Updated at

2024-09-11 17:00:04 UTC

NP-MRD ID

NP0338686

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol

Description

4β-Hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol, also known as 4a-methyl-4b-hydroxymethyl-5a-cholest-7-en-3b-ol, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol is considered to be a sterol lipid molecule. 4β-Hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL SDF PDB SMILES InChI

  Mrv0541 02241222482D          

 35 38  0  0  1  0            999 V2000
   -1.7029    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.0210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2739   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -0.1960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2739    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405    1.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2739   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1550    1.0415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1550    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    2.1214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0830    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    1.2964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6541    1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -1.0210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1318   -1.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878   -2.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -1.4335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4008   -2.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 13  7  1  0  0  0  0
 13  6  1  0  0  0  0
 15 13  1  0  0  0  0
 15  5  2  0  0  0  0
  6  3  1  0  0  0  0
  6 11  1  1  0  0  0
  6  1  1  0  0  0  0
 28 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4  5  1  0  0  0  0
  3 33  1  0  0  0  0
  3  4  1  0  0  0  0
  2  1  1  0  0  0  0
 33 30  1  0  0  0  0
 30  2  1  0  0  0  0
  3 12  1  6  0  0  0
 13 14  1  6  0  0  0
 16 19  1  6  0  0  0
 17 18  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 26 21  1  0  0  0  0
 28 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 22  1  0  0  0  0
 22 23  1  0  0  0  0
 26 25  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  1  1  0  0  0
 33 32  1  6  0  0  0
 33 34  1  1  0  0  0
 34 35  1  0  0  0  0
M  END

  Mrv0541 02241222482D          

 35 38  0  0  1  0            999 V2000
   -1.7029    0.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.0210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2739   -1.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -1.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -0.1960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2739    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405    1.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396   -0.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4246    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884   -1.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2739   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4405   -0.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1550    1.0415    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1550    1.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.6085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3686    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7976    1.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5120    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    2.1214    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0830    2.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9396    1.2964    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6541    1.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4173   -1.0210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1318   -1.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878   -2.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -1.4335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4008   -2.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0  0  0  0
 17 28  1  0  0  0  0
 17  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16  9  1  0  0  0  0
 13  7  1  0  0  0  0
 13  6  1  0  0  0  0
 15 13  1  0  0  0  0
 15  5  2  0  0  0  0
  6  3  1  0  0  0  0
  6 11  1  1  0  0  0
  6  1  1  0  0  0  0
 28 10  1  0  0  0  0
  7  8  1  0  0  0  0
 10  9  1  0  0  0  0
  4  5  1  0  0  0  0
  3 33  1  0  0  0  0
  3  4  1  0  0  0  0
  2  1  1  0  0  0  0
 33 30  1  0  0  0  0
 30  2  1  0  0  0  0
  3 12  1  6  0  0  0
 13 14  1  6  0  0  0
 16 19  1  6  0  0  0
 17 18  1  1  0  0  0
 20 21  1  0  0  0  0
 20 27  1  0  0  0  0
 26 21  1  0  0  0  0
 28 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 22  1  0  0  0  0
 22 23  1  0  0  0  0
 26 25  1  6  0  0  0
 28 29  1  6  0  0  0
 30 31  1  1  0  0  0
 33 32  1  6  0  0  0
 33 34  1  1  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0338686

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1

> <INCHI_KEY>
DWEXIFLNCXYYAA-QQHSWTODSA-N

> <FORMULA>
C29H50O2

> <MOLECULAR_WEIGHT>
430.7061

> <EXACT_MASS>
430.381080844

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
55.315015376851505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,6S,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

> <ALOGPS_LOGP>
6.95

> <JCHEM_LOGP>
6.575091550333333

> <ALOGPS_LOGS>
-6.35

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.269797004126513

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.485407023897363

> <JCHEM_PKA_STRONGEST_BASIC>
-2.7856804209908823

> <JCHEM_POLAR_SURFACE_AREA>
40.46

> <JCHEM_REFRACTIVITY>
131.26089999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.90e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,6S,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

> <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      -3.179   0.404   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.512  -0.366   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.845  -1.906   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.511  -2.676   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.822  -1.906   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.845  -0.366   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.511   1.944   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.822   2.714   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.621  -0.072   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.526   1.174   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.845   1.174   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0      -1.845  -3.446   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0      -0.511   0.404   0.000  0.00  0.00           C+0
HETATM   14  H   UNK     0      -0.511  -1.136   0.000  0.00  0.00           H+0
HETATM   15  C   UNK     0       0.822  -0.366   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.156   0.404   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.156   1.944   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.156   3.484   0.000  0.00  0.00           C+0
HETATM   19  H   UNK     0       2.156  -1.136   0.000  0.00  0.00           H+0
HETATM   20  C   UNK     0       6.288   3.960   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.954   4.730   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.956   3.960   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.956   2.420   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.289   4.730   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.287   4.730   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.621   3.960   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.622   4.730   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.621   2.420   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0       4.954   3.190   0.000  0.00  0.00           H+0
HETATM   30  C   UNK     0      -4.512  -1.906   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -5.846  -2.676   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -3.897  -4.319   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -3.179  -2.676   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.615  -4.109   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -1.127  -4.507   0.000  0.00  0.00           O+0
CONECT    1    6    2                                                       
CONECT    2    1   30                                                       
CONECT    3    6   33    4   12                                             
CONECT    4    5    3                                                       
CONECT    5   15    4                                                       
CONECT    6   13    3   11    1                                             
CONECT    7   13    8                                                       
CONECT    8   17    7                                                       
CONECT    9   16   10                                                       
CONECT   10   28    9                                                       
CONECT   11    6                                                            
CONECT   12    3                                                            
CONECT   13    7    6   15   14                                             
CONECT   14   13                                                            
CONECT   15   16   13    5                                                  
CONECT   16   17   15    9   19                                             
CONECT   17   16   28    8   18                                             
CONECT   18   17                                                            
CONECT   19   16                                                            
CONECT   20   21   27                                                       
CONECT   21   20   26                                                       
CONECT   22   27   24   23                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
CONECT   25   26                                                            
CONECT   26   21   28   25                                                  
CONECT   27   20   22                                                       
CONECT   28   17   10   26   29                                             
CONECT   29   28                                                            
CONECT   30   33    2   31                                                  
CONECT   31   30                                                            
CONECT   32   33                                                            
CONECT   33    3   30   32   34                                             
CONECT   34   33   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

View in JSmol

Synonyms

Value	Source
4alpha-Methyl-4beta-hydroxymethyl-5alpha-cholest-7-en-3beta-ol	ChEBI
4beta-Hydroxymethyl-4alpha-methyl-5alpha-cholest-7-en-3beta-ol	ChEBI
4a-Methyl-4b-hydroxymethyl-5a-cholest-7-en-3b-ol	Generator
4Α-methyl-4β-hydroxymethyl-5α-cholest-7-en-3β-ol	Generator
4b-Hydroxymethyl-4a-methyl-5a-cholest-7-en-3b-ol	Generator
4Β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol	Generator
4b-(Hydroxymethyl)-4a-methyl-5a-cholest-7-en-3b-ol	Generator
4Β-(hydroxymethyl)-4α-methyl-5α-cholest-7-en-3β-ol	Generator

Chemical Formula

C₂₉H₅₀O₂

Average Mass

430.7061 Da

Monoisotopic Mass

430.38108 Da

IUPAC Name

(1R,2R,5S,6S,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

Traditional Name

(1R,2R,5S,6S,7R,11R,14R,15R)-6-(hydroxymethyl)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI Identifier

InChI=1S/C29H50O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29-/m1/s1

InChI Key

DWEXIFLNCXYYAA-QQHSWTODSA-N

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 cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Cholestane steroids

Direct Parent

Cholesterols and derivatives

Alternative Parents

Substituents

Cholesterol
Cholesterol-skeleton
Diterpenoid
Hydroxysteroid
3-hydroxy-delta-7-steroid
3-hydroxysteroid
3-beta-hydroxysteroid
Delta-7-steroid
Cyclic alcohol
Secondary alcohol
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

3beta-hydroxy steroid (CHEBI:15717 )
Cholesterol and derivatives (LMST01010203 )

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	6.95	ALOGPS
logP	6.58	ChemAxon
logS	-6.4	ALOGPS
pKa (Strongest Acidic)	14.49	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	131.26 m³·mol⁻¹	ChemAxon
Polarizability	55.32 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

FDB030549

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

5459806

PDB ID

Not Available

ChEBI ID

15717

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol (NP0338686)

MOL for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

3D MOL for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

3D SDF for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

3D-SDF for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

PDB for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

3D PDB for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

SMILES for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

INCHI for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

Structure for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)

3D Structure for NP0338686 (4β-hydroxymethyl-4α-methyl-5α-cholest-7-en-3β-ol)