Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01050015
Common Name24-ethyl-24-methyl-cholesterol
Systematic Name24-ethyl-24-methyl-cholest-5-en-3β-ol
Synonyms-
Exact Mass
428.4018 (neutral)    Calculate m/z:
FormulaC30H52O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassC24-propyl sterols and derivatives [ST0105]
PubChem CID20847471
InChIKeyAVDOFVAJRSPNNQ-XOMZWEAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H52O/c1-8-28(5,20(2)3)16-13-21(4)25-11-12-26-24-10-9-22-19-23(31)14-
17-29(22,6)27(24)15-18-30(25,26)7/h9,20-21,23-27,31H,8,10-19H2,1-7H3/t21-,23+,24
+,25-,26+,27+,28?,29+,30-/m1/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(C)(CC)C(C)C)CC[C@@]4([
H])[C@]3([H])CC=C2C[C@@H](O)C1
StatusActive
ReferencesOphirasterol, a new C31 sterol from the marine sponge Topsentia ophiraphidites
G.J. Calderon et al. Steroids Volume 69, Issue 2, February 2004, Pages 93-100
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
484.27Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.70Molar
Refractivity
133.35