LIPID MAPS® Maintenance
Routine maintanance of the LIPID MAPS® web systems is scheduled for Friday 25th September, 2020.
LIPID MAPS® services will be 'at risk' all day. We apologise for any inconvenience this may cause.

Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01020044
Common Name18:0 Campesterol ester
Systematic Namecampest-5-en-3β-yl octadecanoate
Synonyms-
Exact Mass
666.6315 (neutral)    Calculate m/z:
FormulaC46H82O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassSterol esters [ST0102]
PubChem CID70699302
InChIKeyMUHWUERCGJWBKA-RQWWKNGZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h26,35-37,39-43H,8-25,27-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
Click to highlight InChI
SMILES
C1[C@H](OC(=O)CCCCCCCCCCCCCCCCC)CC2=CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1
Click to highlight SMILES
StatusActive
ReferencesQuantification of sterol lipids in plants by quadrupole time-of-flight mass spectrometry
Vera Wewer, Isabel Dombrink, Katharina vom Dorp and Peter Dormann
J.Lipid Res., 52, 1039-1054 (2011)
Calculated physicochemical properties (?):
 Heavy Atoms48Rings4Aromatic Rings0Rotatable Bonds23
 van der Waals
Molecular Volume
767.22Topological Polar
Surface Area
26.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP14.73Molar
Refractivity
207.53