Structure Database (LMSD)

Common Name
32-methyl-23Z-tritriaconten-33-olactone
Systematic Name
32-methyl-23Z-tritriaconten-33-olide
Synonyms
LM ID
LMFA07040097
Formula
C34H64O2
Exact Mass
Calculate m/z
504.49063
Sum Composition
FA 34:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Equus caballus (#9796)
Mammalia (#40674)
Skin surface lipids of the horse.,
Lipids, 1980
Pubmed ID: 7392826

String Representations

InChiKey (Click to copy)
HEOUREILPPNJMW-PEZBUJJGSA-N
InChi (Click to copy)
InChI=1S/C34H64O2/c1-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)36-32-33/h14,16,33H,2-13,15,17-32H2,1H3/b16-14-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCCCC=CCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID
171118981

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 596.70
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 11.94
Molar Refractivity 159.03

Admin

Created at
8th May 2020
Updated at
8th May 2020