Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103600001
Common Name(+)-2-Sterpurene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Sterpurane sesquiterpenoids [PR010360]
PubChem CID10943609
InChIKeyHULFPDOHEQOINC-LNSITVRQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-12-9-14(2,3)7-11(12)8-15(4)6-5-13(10)15/h11,13H,5-9H2,1-4H
3/t11-,13+,15-/m0/s1
SMILES[C@@]12(C)CC[C@]1([H])C(C)=C1CC(C)(C)C[C@@]1([H])C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.56Molar
Refractivity
64.65