Structure Database (LMSD)

Common Name
E,E,E-alpha-springene
Systematic Name
3,7,11,15-Tetramethylhexadeca-1,3E,6E,10E,14-pentaene
Synonyms
LM ID
LMFA11000021
Formula
C20H34
Exact Mass
Calculate m/z
274.266051
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Fatty Acyls [FA]
Hydrocarbons [FA11]
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Acyclic diterpenoids [PR010401]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dicotyles tajacu (#9829)
Mammalia (#40674)
Volatile components in dorsal gland secretions of the collared peccary,Tayassu tajacu (Tayassuidae, mammalia).,
J Chem Ecol, 1996
Pubmed ID: 24226086
Nothomyrmecia macrops (#147889)
Insecta (#50557)
Secretion of the Dufour gland of the ant Nothomyrmecia macrops (Hymenoptera:Formicidae),
Experientia, 1988

String Representations

InChiKey (Click to copy)
RGNFIWYAZYIMOT-OBHWEXPVSA-N
InChi (Click to copy)
InChI=1S/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h11-12,14-15H,7-10,13,16H2,1-6H3/b18-12+,19-15+,20-14+
SMILES (Click to copy)
CC/C(/C)=C/C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C

Other Databases

CHEBI ID
188035
PubChem CID
56936056

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 344.00
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.15
Molar Refractivity 94.08

Admin

Created at
-
Updated at
16th Apr 2025