Structure database (LMSD)

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LM IDLMST01010085
Common Name-
Systematic Name5β-cholestane
Synonyms-
Exact Mass
372.3756 (neutral)    Calculate m/z:
FormulaC27H48
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST0167
PubChem CID5283630
CHEBI ID35517
InChIKeyXIIAYQZJNBULGD-CJPSHIORSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25
(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,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)CCCC(C)C)CC[C@@]4([H])[C@]
3([H])CC[C@]2([H])CCC1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
426.22Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.50Molar
Refractivity
117.69