Structure Database (LMSD)

Common Name
Nocardiolactone
Systematic Name
2S-octadecanyl-hexadecan-3S-olide
Synonyms
  • trans-3-Octadecyl-4-tridecyloxetan-2-one
LM ID
LMFA07040125
Formula
C34H66O2
Exact Mass
Calculate m/z
506.50628
Sum Composition
FA 34:1
Status
Active
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
Nocardia brasiliensis (#37326)
Actinomycetes (#1760)
Isolation and Structure of Nocardiolactone, A New Dialkyl-Substituted Beta-Lactone From Pathogenic Nocardia Strains,
Nat Prod Letts, 1999

String Representations

InChiKey (Click to copy)
RKOCOEJHUKVQSU-LQJZCPKCSA-N
InChi (Click to copy)
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-30-32-33(36-34(32)35)31-29-27-25-23-20-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3/t32-,33-/m0/s1
SMILES (Click to copy)
[C@H]1(CCCCCCCCCCCCCCCCCC)[C@H](CCCCCCCCCCCCC)OC1=O

Other Databases

PubChem CID
11214333

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 1
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 599.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 12.17
Molar Refractivity 159.12

Admin

Created at
24th Aug 2020
Updated at
24th Aug 2020