Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103430002
Common Nameβ-Aromadendrene
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 4Aromadendrane sesquiterpenoids [PR010343]
PubChem CID42608157
InChIKeyITYNGVSTWVVPIC-DGTMBMJNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4
H3/t10-,11-,12+,13+,14+/m1/s1
SMILES[C@]12([H])CC[C@@H](C)[C@]1([H])[C@H]1C(C)(C)[C@H]1CCC2=C
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
 logP4.27Molar
Refractivity
64.51