Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01030141
Common Name-
Systematic Name23R,24R-dimethylcholestan-3b-ol
Synonyms-
Exact Mass
416.4018 (neutral)    Calculate m/z:
FormulaC29H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
PubChem CID42608405
InChIKeyKTGGCSVZUGUIFS-XQRCNBCUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H52O/c1-18(2)21(5)19(3)16-20(4)25-10-11-26-24-9-8-22-17-23(30)12-14-28(22,6)27(24)13-15-29(25,26)7/h18-27,30H,8-17H2,1-7H3/t19-,20?,21-,22?,23+,24?,25-,26?,27?,28+,29-/m1/s1
Click to highlight InChI
SMILES
C1C[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CCC2C[C@H]1O)C(C)C[C@@H](C)[C@H](C)C(C)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
469.61Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.25Molar
Refractivity
128.68