Structure Database (LMSD)

Common Name
delta-hexacosanalactone
Systematic Name
5-hexacosanolide
Synonyms
LM ID
LMFA07040116
Formula
C26H50O2
Exact Mass
Calculate m/z
394.38108
Sum Composition
FA 26:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Cerinthe minor (#131385)
Magnoliopsida (#3398)
Homologous long-chain delta-lactones in leaf cuticular waxes of Cerinthe minor,
Phytochemistry, 1999

String Representations

InChiKey (Click to copy)
QMWWHIYRYXABJH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-23-21-24-26(27)28-25/h25H,2-24H2,1H3
SMILES (Click to copy)
C1CC(=O)OC(CCCCCCCCCCCCCCCCCCCCC)C1

Other Databases

PubChem CID
85896840

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 1
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 460.94
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 9.19
Molar Refractivity 122.26

Admin

Created at
10th Jun 2020
Updated at
10th Jun 2020