Structure Database (LMSD)

O O
Common Name
S-Lavender lactone
Systematic Name
(5S)-5β-Vinyl-5-methyltetrahydrofuran-2-one
Synonyms
LM ID
LMFA07040189
Formula
C7H10O2
Exact Mass
Calculate m/z
126.06808
Sum Composition
FA 7:2
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]

String Representations

InChiKey (Click to copy)
QESPSAHXYXIGBG-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3/t7-/m1/s1
SMILES (Click to copy)
C1C[C@@](C)(C=C)OC1=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Celastrina argiolus ladonides (#559136)
Insecta (#50557)
Two lactones in the androconial scent of the lycaenid butterfly Celastrina argiolus ladonides.,
Naturwissenschaften, 2013
Pubmed ID: 23509009

Other Databases

PubChem CID
58003828

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 1
Aromatic Rings
Rotatable Bonds 1
Van der Waals Molecular Volume 129.60
Topological Polar Surface Area 28.37
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 1.55
Molar Refractivity 34.44

Admin

Created at
3rd Jan 2023
Updated at
27th Apr 2023