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Record Information
Version2.0
Created at2022-09-06 22:28:11 UTC
Updated at2022-09-06 22:28:11 UTC
NP-MRD IDNP0238974
Secondary Accession NumbersNone
Natural Product Identification
Common Namemethyl (22e)-19-oxooctacos-22-enoate
Description methyl (22e)-19-oxooctacos-22-enoate is found in Cuspidaria convoluta.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC29H54O3
Average Mass450.7480 Da
Monoisotopic Mass450.40730 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCC\C=C\CCC(=O)CCCCCCCCCCCCCCCCCC(=O)OC
InChI Identifier
InChI=1S/C29H54O3/c1-3-4-5-6-16-19-22-25-28(30)26-23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-27-29(31)32-2/h16,19H,3-15,17-18,20-27H2,1-2H3/b19-16+
InChI KeyRYRXKHYLJCWJPT-KNTRCKAVSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Cuspidaria convolutaLOTUS Database
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. LOTUS database [Link]