Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104050007
Common Nameabieta-8(14),12-diene
Systematic Nameabieta-8(14),12-diene
SynonymsLevopimaradiene
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Abietane diterpenoids [PR010405]
PubChem CID443471
KEGG IDC11879
CHEBI ID29616
InChIKeyASPVQUYRFYUDSC-CMKODMSKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,
13-14,17-18H,6,8-12H2,1-5H3/t17-,18-,20+/m0/s1
SMILESC12[C@]([H])(CC=C(C=1)C(C)C)[C@]1(CCCC(C)(C)[C@]1([H])CC2)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
312.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.14Molar
Refractivity
87.57