Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010099
Common Name-
Systematic Name5α-cholest-22E-en-3β-ol
Synonyms-
Exact Mass
386.3549 (neutral)    Calculate m/z:
FormulaC27H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9117
PubChem CID5283666
InChIKeyBWGQUGBECNWWDB-PNAUCWDRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,
4)25(22)14-16-27(23,24)5/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6+/t19-,20+,21+,22+,23
-,24+,25+,26+,27-/m1/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/CC(C)C)CC[C@@]4([H])[
C@]3([H])CC[C@@]2([H])C[C@@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
432.37Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.53Molar
Refractivity
119.49