Structure Database (LMSD)

Common Name
Suspensolide
Systematic Name
4,8-Dimethyl-3E,8E-decadien-10-olide
Synonyms
  • (3E,8E)-suspensolide
LM ID
LMFA07040014
Status
Active
Exact Mass
Calculate m/z
194.13068
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

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

Other Databases

PubChem CID

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