Structure Database (LMSD)

Common Name
Trans-eldanolide
Systematic Name
3S,7-Dimethyl-6-octene-4R-olide
Synonyms
LM ID
LMFA07040013
Formula
C10H16O2
Exact Mass
Calculate m/z
168.11503
Sum Composition
FA 10:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]
Carbocyclic fatty acids [FA0114]

String Representations

InChiKey (Click to copy)
ARNPQYFYGKMXGD-DTWKUNHWSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-7(2)4-5-9-8(3)6-10(11)12-9/h4,8-9H,5-6H2,1-3H3/t8-,9+/m0/s1
SMILES (Click to copy)
C1(O[C@H](C/C=C(\C)/C)[C@@H](C)C1)=O

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Eldana saccharina (#236776)
Insecta (#50557)
Constituents of wing gland and abdominal hair pencil secretions of male African sugarcane borer,Eldana saccharina walker (Lepidoptera: Pyralidae).,
J Chem Ecol, 1993
Pubmed ID: 24248574

Other Databases

PubChem CID
11008321

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 181.50
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.58
Molar Refractivity 48.22

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Created at
-
Updated at
1st Apr 2022