Structure Database (LMSD)

Common Name
3-nonadecylphenol
Systematic Name
3-nonadecylphenol
Synonyms
LM ID
LMPK15010006
Formula
C25H44O
Exact Mass
Calculate m/z
360.339216
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Phenolic lipids [PK15]
Alkyl phenols and derivatives [PK1501]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rhus (#4012)
Magnoliopsida (#3398)
Cardanols from leaves of Rhus thyrsiflora.,
Planta Med, 2001
Pubmed ID: 11488469

String Representations

InChiKey (Click to copy)
CVAJGZCZYKYYFH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25(26)23-24/h19,21-23,26H,2-18,20H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCCCCCCCC)C=C(O)C=1

Other Databases

CHEBI ID
186844
PubChem CID
85537989

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 1
Aromatic Rings 1
Rotatable Bonds 18
Van der Waals Molecular Volume 418.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 8.59
Molar Refractivity 115.97

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Updated at
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