Structure Database (LMSD)

Common Name
13R,23S-Dimethylpentatriacontane
Systematic Name
13R,23S-Dimethylpentatriacontane
Synonyms
LM ID
LMFA11000018
Formula
C37H76
Exact Mass
Calculate m/z
520.5947
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ZTXOMIYTNXPEFM-JXLNJXQWSA-N
InChi (Click to copy)
InChI=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+
SMILES (Click to copy)
CCCCCCCCCCCC[C@@H](C)CCCCCCCCC[C@@H](C)CCCCCCCCCCCC

Other Databases

PubChem CID
25240485

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 32
Van der Waals Molecular Volume 648.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.39
Molar Refractivity 172.80

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Created at
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Updated at
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