Structure Database (LMSD)
Systematic Name
22,23-Methylene-24-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)
CMQUZVIEHACIBO-RYKWMEOXSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18?,19-,21+,22+,23?,24?,25-,26+,27+,28+,29-/m1/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O)[C@H](C)C1CC1C(C)C(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
5
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
454.61
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
7.78
Molar Refractivity
126.47
Admin
Created at
-
Updated at
25th Mar 2021