Structure database (LMSD)

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LM IDLMST01030138
Common Name-
Systematic Name22,23-Methylene-24-methyl-cholest-5-en-3β-ol
Synonyms-
Exact Mass
412.3705 (neutral)    Calculate m/z:
FormulaC29H48O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
PubChem CID42608402
InChIKeyCMQUZVIEHACIBO-XAUDTEFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C29H48O/c1-17(2)18(3)23-16-24(23)19(4)25-9-10-26-22-8-7-20-15-21(30)11-13-28(20,5)27(22)12-14-29(25,26)6/h7,17-19,21-27,30H,8-16H2,1-6H3/t18?,19?,21-,22?,23?,24?,25+,26?,27?,28-,29+/m0/s1
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SMILES
C1C[C@]2(C)C3CC[C@]4(C)[C@H](CCC4C3CC=C2C[C@H]1O)C(C)C1CC1C(C)C(C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings5Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
454.61Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.78Molar
Refractivity
126.47