Structure Database (LMSD)

Common Name
33-methyl-26Z-tetratriaconten-34-olactone
Systematic Name
33-methyl-26Z-tetratriaconten-34-olide
Synonyms
LM ID
LMFA07040100
Formula
Exact Mass
Calculate m/z
518.50628
Sum Composition
Status
Curated

Classification

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)
PFRPQXROIBOAKQ-VZCXRCSSSA-N
InChi (Click to copy)
InChI=1S/C35H66O2/c1-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(36)37-33-34/h19,21,34H,2-18,20,22-33H2,1H3/b21-19-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCC1

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 614.00
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.33
Molar Refractivity 163.65

Admin

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