Structure Database (LMSD)

Common Name
Heptacosan-16-olide
Systematic Name
Synonyms
LM ID
LMFA07040220
Formula
Exact Mass
Calculate m/z
408.396731
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eueides vibilia (#101930)
Insecta (#50557)
Large Macrocyclic Lactones as Specific Cuticular Lipids of <i>Eueides</i> Butterflies.,
J Nat Prod, 2026
Pubmed ID: 41875930

String Representations

InChiKey (Click to copy)
KLSSIVWXUPZZTA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H52O2/c1-2-3-4-5-6-11-14-17-20-23-26-24-21-18-15-12-9-7-8-10-13-16-19-22-25-27(28)29-26/h26H,2-25H2,1H3
SMILES (Click to copy)
C1CCCCCCCCC(OC(CCCCCCCCCCC)CCCCC1)=O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 478.24
Topological Polar Surface Area 28.37
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 9.58
Molar Refractivity 126.87

Admin

Created at
22nd Apr 2026
Updated at
22nd Apr 2026