Structure Database (LMSD)
Common Name
(-)-Spirolepechinene
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of (-)-Spirolepechinene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
JKIOJKSBQRHQIE-AEGPPILISA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11(2)14-8-7-13(4)15(10-14)9-5-6-12(15)3/h12,14H,1,4-10H2,2-3H3/t12-,14-,15+/m0/s1
SMILES (Click to copy)
[C@H]1(C(C)=C)CCC(=C)[C@]2(CCC[C@@H]2C)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Lepechinia bullata
(#1405033)
Magnoliopsida
(#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2000
Nat Prod Rep, 2000
Pubmed ID:
11072895
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
238.06
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
4.73
Molar Refractivity
66.74
Admin
Created at
-
Updated at
-