Structure Database (LMSD)

Common Name
Sterculic acid
Systematic Name
9,10-methylene-9-octadecenoic acid
Synonyms
  • omega-(2-n-octylcycloprop-1-enyl)octanoic acid
  • Stearculic acid
  • Stearculinic acid
  • Sterculinic acid
LM ID
LMFA01140018
Status
Active
Exact Mass
Calculate m/z
294.25588
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
PQRKPYLNZGDCFH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC(=O)O)C1CC=1CCCCCCCC

References

Reference
The Structure of Sterculic Acid.
J Chem Soc 1952
DOI: 10.1039/JR9520000313

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Sterculia foetida (#195802)
Magnoliopsida (#3398)
The Structure of Sterculic Acid.,
J. Chem. Soc., 1952

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 337.20
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.25
Molar Refractivity 89.59

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Created at
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Updated at
16th Dec 2020