Structure Database (LMSD)

Common Name
3-heptadecylphenol
Systematic Name
3-heptadecylphenol
Synonyms
LM ID
LMPK15010005
Formula
C23H40O
Exact Mass
Calculate m/z
332.307915
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
UFAKFKCECWXXFP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h17,19-21,24H,2-16,18H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1

Other Databases

PubChem CID
313882

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 1
Rotatable Bonds 16
Van der Waals Molecular Volume 384.07
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.81
Molar Refractivity 106.74

Admin

Created at
-
Updated at
-