Structure Database (LMSD)

Common Name
9Z,19Z-Heptatriacontadiene
Systematic Name
9Z,19Z-Heptatriacontadiene
Synonyms
LM ID
LMFA11000153
Formula
C37H72
Exact Mass
Calculate m/z
516.563401
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euura alaskensis (#455473)
Insecta (#50557)
Hydrocarbon components of the yellowheaded spruce sawfly sex pheromone : A series of (Z, Z)-9, 19 dienes.,
J Chem Ecol, 1982
Pubmed ID: 24414587

String Representations

InChiKey (Click to copy)
NYYAJCCDJIUCOD-PDQFNKOSSA-N
InChi (Click to copy)
InChI=1S/C37H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,36-37H,3-16,18,20-35H2,1-2H3/b19-17-,37-36-
SMILES (Click to copy)
CCCCCCCC/C=C\CCCCCCCC/C=C\CCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936124

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 643.38
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.23
Molar Refractivity 172.75

Admin

Created at
-
Updated at
9th Sep 2025