Structure Database (LMSD)

Common Name
2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E.24E,26E-hexacosadodecaenal
Systematic Name
(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-hexacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-dodecaenal
Synonyms
LM ID
LMFA06000269
Status
Active
Exact Mass
Calculate m/z
356.214015
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)
TWHNZKBTKVPHAG-IAKYJRAWSA-N
InChi (Click to copy)
InChI=1S/C26H28O/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/h2-26H,1H3/b3-2+,5-4+,7-6+,9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+,23-22+,25-24+
SMILES (Click to copy)
C(=C/C=C/C=C/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
Renilla muelleri (#37510)
Anthozoa (#6101)
New Strategies for Identifying Natural Products of Ecological Significance from Corals: Nondestructive Raman Spectroscopy Analysis,
Studies in Natural Products Chemistry, 2014

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 432.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.88
Molar Refractivity 121.42

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Created at
28th Jun 2019
Updated at
28th Jun 2019