Structure Database (LMSD)
Systematic Name
4-Methyl-cholest-5-en-3β-ol
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PZELUKPNJYWGOY-SGVIZOHCSA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h11,18-22,24-26,29H,7-10,12-17H2,1-6H3/t19-,20?,21+,22-,24+,25+,26+,27-,28+/m1/s1
SMILES (Click to copy)
C1C[C@@]2([C@@]3([H])CC[C@]4([C@]([H])([C@]3([H])CC=C2C(C)[C@H]1O)CC[C@]4([H])[C@H](C)CCCC(C)C)C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
449.67
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.92
Molar Refractivity
124.11
Admin
Created at
-
Updated at
22nd Feb 2021