Structure database (LMSD)

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LM IDLMFA11000018
Common Name13R,23S-Dimethylpentatriacontane
Systematic Name13R,23S-Dimethylpentatriacontane
Synonyms-
Exact Mass
520.5947 (neutral)    Calculate m/z:
FormulaC37H76
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID25240485
InChIKeyZTXOMIYTNXPEFM-JXLNJXQWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H76/c1-5-7-9-11-13-15-17-20-24-28-32-36(3)34-30-26-22-19-23-27-31-35
-37(4)33-29-25-21-18-16-14-12-10-8-6-2/h36-37H,5-35H2,1-4H3/t36-,37+
SMILESCCCCCCCCCCCC[C@@H](C)CCCCCCCCC[C@@H](C)CCCCCCCCCCCC
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms37Rings0Aromatic Rings0Rotatable Bonds32
 van der Waals
Molecular Volume
648.66Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP14.39Molar
Refractivity
172.80