Structure Database (LMSD)

Common Name
13,17-Dimethyltritetracontane
Systematic Name
13,17-Dimethyltritetracontane
Synonyms
LM ID
LMFA11000249
Formula
C45H92
Exact Mass
Calculate m/z
632.719902
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Diapheromera femorata (#202342)
Insecta (#50557)
The cuticular lipids of the walkingstick, Diapheromera femorata (Say),
Insect Biochem, 1981

String Representations

InChiKey (Click to copy)
MTZMODVLJPKVMJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C45H92/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-41-45(4)43-39-42-44(3)40-37-35-33-31-16-14-12-10-8-6-2/h44-45H,5-43H2,1-4H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

CHEBI ID
187833
PubChem CID
56936153

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 0
Aromatic Rings 0
Rotatable Bonds 40
Van der Waals Molecular Volume 787.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 17.51
Molar Refractivity 209.74

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Created at
-
Updated at
28th Apr 2022