Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104150004
Common Name(-)-16-Atisene
Systematic Name-
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Villanovane, atisane, trachylobane and helvifulvane diterpenoids [PR010415]
PubChem CID42608224
InChIKeyLFRRHLVVLXYROS-RXWAUAPXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/
h15-17H,1,5-13H2,2-4H3/t15?,16-,17+,19-,20-/m1/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
298.68Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.98Molar
Refractivity
85.48