Structure Database (LMSD)
Common Name
(5alpha,24(28)Z)-Stigmast-24(28)-en-3-one
Systematic Name
5α-stigmast-24(28)-en-3-one
Synonyms
3D model of (5alpha,24(28)Z)-Stigmast-24(28)-en-3-one
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)
ARTLJRSXUMKHFS-JKMGWAAHSA-N
InChi (Click to copy)
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,19-20,22,24-27H,8-18H2,1-6H3/b21-7-/t20-,22+,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])([C@H](C)CC/C(=C/C)/C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC1=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
4
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
464.33
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
8.23
Molar Refractivity
127.22
Admin
Created at
-
Updated at
2nd Mar 2021