Structure Database (LMSD)

Common Name
Suspensolide
Systematic Name
4,8-Dimethyl-3E,8E-decadien-10-olide
Synonyms
  • (3E,8E)-suspensolide
LM ID
LMFA07040014
Formula
C12H18O2
Exact Mass
Calculate m/z
194.13068
Sum Composition
FA 12:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anastrepha suspensa (#28587)
Insecta (#50557)
Suspensolide, a new macrolide component of male caribbean fruit fly (Anastrepha suspensa [loew]) volatiles,
Tetrahedron Letts, 1988

String Representations

InChiKey (Click to copy)
RVKDTQISXMBQEU-NSJFVGFPSA-N
InChi (Click to copy)
InChI=1S/C12H18O2/c1-10-4-3-5-11(2)8-9-14-12(13)7-6-10/h6,8H,3-5,7,9H2,1-2H3/b10-6+,11-8+
SMILES (Click to copy)
C1(CCCC(=CCOC(=O)CC=1)C)C

Other Databases

PubChem CID
13988387

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 213.46
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.28
Molar Refractivity 57.43

Admin

Created at
-
Updated at
30th Apr 2020