Structure Database (LMSD)
Common Name
5-hentriacontylresorcinol
Systematic Name
5-hentriacontylbenzene-1,3-diol
Synonyms
3D model of 5-hentriacontylresorcinol
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
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ailanthus altissimus
(#2768810)
Magnoliopsida
(#3398)
Very-Long-Chain Resorcinolic Lipids of <i>Ailanthus altissima</i> Samaras.,
Molecules, 2025
Molecules, 2025
Pubmed ID:
40733236
String Representations
InChiKey (Click to copy)
MKVWJIZMTUBETH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-35-32-36(38)34-37(39)33-35/h32-34,38-39H,2-31H2,1H3
SMILES (Click to copy)
C1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
1
Aromatic Rings
1
Rotatable Bonds
30
Van der Waals Molecular Volume
635.06
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
12.97
Molar Refractivity
173.04
Admin
Created at
6th Jan 2026
Updated at
6th Jan 2026