Structure Database (LMSD)
Common Name
Xestosteryl palmitate
Systematic Name
24-methylene-26,27-dimethyl-cholest-5-en-3β-yl hexadecanoate
Synonyms
- Xestosterol palmitate
3D model of Xestosteryl palmitate
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
References
String Representations
InChiKey (Click to copy)
AMCUFXUZRAFRCK-CUPOWPQWSA-N
InChi (Click to copy)
InChI=1S/C46H80O2/c1-8-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)36(5)25-24-35(4)37(9-2)10-3/h26,36-37,39-43H,4,8-25,27-34H2,1-3,5-7H3/t36-,39+,40+,41-,42+,43+,45+,46-/m1/s1
SMILES (Click to copy)
C1C[C@H](OC(=O)CCCCCCCCCCCCCCC)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(CC)CC)[C@@]4(C)CC[C@]3([H])[C@@]12C
Calculated Physicochemical Properties
Heavy Atoms
48
Rings
4
Aromatic Rings
Rotatable Bonds
23
Van der Waals Molecular Volume
764.58
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
14.65
Molar Refractivity
207.51
Admin
Created at
7th Aug 2024
Updated at
7th Aug 2024