Structure database (LMSD)

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LM IDLMST01010096
Common NameZymostenol
Systematic Name5α-cholest-8-en-3β-ol
Synonyms5α-cholest-8(9)-en-3β-ol
Exact Mass
386.3549 (neutral)    Calculate m/z:
FormulaC27H46O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
LIPIDBANK IDSST9102
PubChem CID101770
KEGG IDC03845
HMDB IDHMDB0006841
CHEBI ID16608
SWISSLIPIDS IDSLM:000000468
InChIKeyQETLKNDKQOXZRP-XTGBIJOFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,
4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,
27-/m1/s1
SMILESC1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]4([H])C=3CC[C@@]2([
H])C[C@@H](O)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
432.37Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.82Molar
Refractivity
119.63