Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST01010094
Common Name-
Systematic Name4α-methyl-cholest-7-en-3β-ol
Synonyms-
Exact Mass
400.3705 (neutral)    Calculate m/z:
FormulaC28H48O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9076
PubChem CID160482
KEGG IDC08825
HMDB IDHMDB11605
CHEBI ID18378
SWISSLIPIDS IDSLM:000000195
InChIKeyLMYZQUNLYGJIHI-SPONXPENSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(
23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3/t19-,20+,22-,2
3+,24+,25+,26+,27-,28+/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])C3=C
C[C@@]2([H])[C@H](C)[C@@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
449.67Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.92Molar
Refractivity
124.11