Structure database (LMSD)

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LM IDLMST01010136
Common Name-
Systematic Name14-Methyl-cholest-8-en-3β-ol
Synonyms-
Exact Mass
400.3705 (neutral)    Calculate m/z:
FormulaC28H48O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassCholesterol and derivatives [ST0101]
AbbrevST 28:1;O
PubChem CID42608383
InChIKeyCYEADWAQMXQSDD-KBZHUVSESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-23,29H,7-18H2,1-6H3/t20?,21?,22-,23+,26-,27+,28-/m0/s1
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SMILES
C1C[C@@]2(C3CC[C@]4([C@](C)(C=3CCC2C[C@H]1O)CC[C@@H]4C(C)CCCC(C)C)C)C
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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
 logP8.21Molar
Refractivity
124.25