Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104050006
Common Nameabietol
Systematic Nameabieta-7,13-dien-18-ol
SynonymsAbietinol; Abietol; abietadienol; abietyl alcohol
Exact Mass
288.2453 (neutral)    Calculate m/z:
FormulaC20H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Abietane diterpenoids [PR010405]
PubChem CID443474
KEGG IDC11882
CHEBI ID29510
InChIKeyGQRUHVMVWNKUFW-LWYYNNOASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4
/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19-,20+/m0/s1
SMILESC1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CCC(C(C)C)=C3)[C@@](CO)(C)CC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
320.99Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.40Molar
Refractivity
89.48