Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01100011
Common Namecycloeucalenol
Systematic Name4α,14-dimethyl-9β,19-cyclo-5α-ergost-24(28)-en-3β-ol
Synonyms3β,4α,5α-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol; Cycloeucalenol;
cycloeucalenol; cycloleucalenol
Exact Mass
426.3862 (neutral)    Calculate m/z:
FormulaC30H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCycloartanols and derivatives [ST0110]
AbbrevST 30:2;O
PubChem CID101690
KEGG IDC02141
CHEBI ID16653
InChIKeyHUNLTIZKNQDZEI-PGFZVWMDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3/t21-,22+,23-,24+,25+,26+,27-,28+,29-,30+/m1/s1
Click to highlight InChI
SMILES
[C@@]123CC[C@]4(C)[C@H](CC[C@@]4(C)[C@]1([H])CC[C@@]1([H])[C@H](C)[C@H](CC[C@]21C3)O)[C@H](C)CCC(=C)C(C)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings5Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
471.91Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.31Molar
Refractivity
131.16