Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E,18E-eicosanonaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E)-eicosa-2,4,6,8,10,12,14,16,18-nonaenal
Synonyms
LM ID
LMFA06000266
Status
Active
Exact Mass
Calculate m/z
278.167065
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ASPHZFNJNFDRCT-HRUYHGMMSA-N
InChi (Click to copy)
InChI=1S/C20H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+
SMILES (Click to copy)
C(=C/C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Octocorallia (#6132)
Anthozoa (#6101)
New Strategies for Identifying Natural Products of Ecological Significance from Corals: Nondestructive Raman Spectroscopy Analysis,
Studies in Natural Products Chemistry, 2014

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 336.95
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.21
Molar Refractivity 94.00

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Created at
27th Jun 2019
Updated at
27th Jun 2019