Structure database (LMSD)

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LM IDLMST01030103
Common NameCampestanol
Systematic Name5α-campestan-3β-ol
Synonyms-
Exact Mass
402.3862 (neutral)    Calculate m/z:
FormulaC28H50O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
LIPIDBANK IDSST9086
PubChem CID119394
HMDB IDHMDB00534
CHEBI ID36799
CAYMAN ID26538
InChIKeyARYTXMNEANMLMU-ATEDBJNTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
452.31Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.00Molar
Refractivity
124.14