Structure Database (LMSD)
Common Name
Fucoxanthinol 3-stearate
Systematic Name
Fucoxanthinol 3-octadecanoate
Synonyms
- FOH-3-C18:0
- FOH18:0
3D model of Fucoxanthinol 3-stearate
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)
ODKBMCWKCHAWPO-PCCRAXQESA-N
InChi (Click to copy)
InChI=1S/C58H90O6/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-37-53(61)63-50-42-55(8,9)58(57(11,43-50)64-58)44-51(60)48(5)36-30-35-46(3)32-28-27-31-45(2)33-29-34-47(4)38-39-52-54(6,7)40-49(59)41-56(52,10)62/h27-36,38,49-50,59,62H,12-26,37,40-44H2,1-11H3/b28-27+,33-29+,35-30+,45-31+,46-32+,47-34+,48-36+/t39-,49-,50-,56+,57+,58-/m0/s1
SMILES (Click to copy)
[C@@]12(CC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=[C@@]=C3[C@@](O)(C)C[C@@H](O)CC3(C)C)O[C@]1(C)C[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)CC2(C)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
64
Rings
3
Aromatic Rings
0
Rotatable Bonds
28
Van der Waals Molecular Volume
998.58
Topological Polar Surface Area
96.36
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
16.37
Molar Refractivity
270.54
Admin
Created at
-
Updated at
15th Jul 2019