Structure Database (LMSD)
Common Name
Beta-springene
Systematic Name
7,11,15-Trimethyl-3-methylene-hexadeca-1,6E,10E,14-tetraene
Synonyms
3D model of Beta-springene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
References
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
J Chem Ecol, 1996
Pubmed ID:
24226086
DOI:
10.1007/BF02266967
Alligator sinensis
(#38654)
New terpene hydrocarbons from the alligatoridae (crocodylia, reptilia).,
J Nat Prod, 2003
J Nat Prod, 2003
Pubmed ID:
12542341
DOI:
10.1021/np020073r
Bombus griseocollis
(#207634)
Insecta
(#50557)
Flavonoids from Ulex airensis and Ulex europaeus ssp. europaeus.,
J Nat Prod, 2002
J Nat Prod, 2002
Pubmed ID:
11858751
DOI:
10.1021/np010147j
String Representations
InChiKey (Click to copy)
XSIVJVJUIXOEPW-YTOAGJIJSA-N
InChi (Click to copy)
InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,1,4,8-10,12-13,16H2,2-3,5-6H3/b19-15+,20-14+
SMILES (Click to copy)
C/C(/C)=C/CC/C(/C)=C/CC/C(/C)=C/CCC(=C)C=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
Aromatic Rings
Rotatable Bonds
10
Van der Waals Molecular Volume
341.36
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
Hydrogen Bond Acceptors
logP
6.93
Molar Refractivity
93.98
Admin
Created at
16th Apr 2025
Updated at
16th Apr 2025