Structure Database (LMSD)

Common Name
(-)-Spirolepechinene
Systematic Name
Synonyms
LM ID
LMPR0103680001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lepechinia bullata (#1405033)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2000
Pubmed ID: 11072895

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

Other Databases

PubChem CID
42608181

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
-