Structure Database (LMSD)

Common Name
Acrocarpunilactone
Systematic Name
(R)-5-pentatriacontyldihydrofuran-2(3H)-one,
Synonyms
  • 4R-nonatriacontanolide
  • R-gamma-nonatriacontalactone
LM ID
LMFA07040191
Formula
C39H76O2
Exact Mass
Calculate m/z
576.58453
Sum Composition
FA 39:1
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
Acrocarpospora (#90974)
Actinomycetes (#1760)
Chemical Constituents of Metabolites Produced by the Actinomycete Acrocarpospora punica,
Chem Nat Comp, 2014

String Representations

InChiKey (Click to copy)
XYBHVIIGFSTYKO-KXQOOQHDSA-N
InChi (Click to copy)
InChI=1S/C39H76O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-36-37-39(40)41-38/h38H,2-37H2,1H3/t38-/m1/s1
SMILES (Click to copy)
[C@@H]1(OC(=O)CC1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
129882128

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 1
Aromatic Rings
Rotatable Bonds 34
Van der Waals Molecular Volume 685.84
Topological Polar Surface Area 28.37
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 14.26
Molar Refractivity 182.28

Admin

Created at
16th Jun 2023
Updated at
16th Jun 2023