LIPID MAPS® Maintenance
Routine maintenance 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 IDLMPR0105030001
Common Name(-)-Ceriferol 1
Systematic Name-
Synonyms-
Exact Mass
356.3079 (neutral)    Calculate m/z:
FormulaC25H40O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Cericerane sesterterpenoids [PR010503]
PubChem CID42608276
InChIKeyAJSOCTGMVJYROT-NDACNNDESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H40O/c1-20(2)9-6-13-23(5)25-17-15-22(4)11-7-10-21(3)12-8-14-24(19-26)16-18-25/h9,11-12,16,25-26H,5-8,10,13-15,17-19H2,1-4H3/b21-12-,22-11+,24-16-/t25-/m1/s1
Click to highlight InChI
SMILES
C1=C(C)CCC=C(C)CC[C@@H](C(=C)CC/C=C(\C)/C)CC=C(CO)CC1
Click to highlight SMILES
StatusActive
ReferencesBreitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
424.29Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.75Molar
Refractivity
116.79