Structure Database (LMSD)
Systematic Name
Benzyl 23-methyltetracosanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
KBDQLOARGBJBOR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H56O2/c1-30(2)25-21-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-24-28-32(33)34-29-31-26-22-20-23-27-31/h20,22-23,26-27,30H,3-19,21,24-25,28-29H2,1-2H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCCCCCCCC(C)C)OCC1=CC=CC=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Primula veris
(#170927)
Magnoliopsida
(#3398)
Very-Long-Chain Wax Constituents from Primula veris and P. acaulis: Does the Paradigm of Non-Branched vs. Branched Chain Dominance Universally Hold in all Plant Taxa?,
Chem Biodivers, 2021
Chem Biodivers, 2021
Pubmed ID:
34028186
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
1
Aromatic Rings
1
Rotatable Bonds
25
Van der Waals Molecular Volume
545.92
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
10.58
Molar Refractivity
148.03
Admin
Created at
23rd Jun 2021
Updated at
23rd Jun 2021