Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010012
Common Name24,25-epoxy-cholesterol
Systematic Name24S,25-epoxy-cholest-5-en-3β-ol
Synonyms24S,25-epoxy-cholesterol
Exact Mass
400.3341 (neutral)    Calculate m/z:
FormulaC27H44O2
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST0209
PubChem CID3247059
SWISSLIPIDS IDSLM:000485404
InChIKeyOSENKJZWYQXHBN-XVYZBDJZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H44O2/c1-17(6-11-24-25(2,3)29-24)21-9-10-22-20-8-7-18-16-19(28)12-14
-26(18,4)23(20)13-15-27(21,22)5/h7,17,19-24,28H,6,8-16H2,1-5H3/t17-,19+,20+,21-,
22+,23+,24+,26+,27-/m1/s1
SMILES[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CC[
C@@H]3O[C@@]3(C)C)CC[C@@]21[H])[H]
MS StandardView lipid standard
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
428.80Topological Polar
Surface Area
32.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.38Molar
Refractivity
120.09