Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000003
Common NameMontanyl alcohol (W)
Systematic Name1-octacosanol
Synonymsoctacosan-1-ol
Exact Mass
410.4488 (neutral)    Calculate m/z:
FormulaC28H58O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID68406
HMDB IDHMDB0034380
CHEBI ID28243
SWISSLIPIDS IDSLM:000001245
InChIKeyCNNRPFQICPFDPO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24
-25-26-27-28-29/h29H,2-28H2,1H3
SMILESC(CCCCCCCCCCCCCO)CCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings0Aromatic Rings0Rotatable Bonds26
 van der Waals
Molecular Volume
501.75Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP10.43Molar
Refractivity
133.29