Structure Database (LMSD)

Common Name
Argutenol
Systematic Name
Synonyms
LM ID
LMPR0103240001
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pluchea arguta (#1548623)
Magnoliopsida (#3398)
Natural sesquiterpenoids.,
Nat Prod Rep, 2000
Pubmed ID: 11072895

String Representations

InChiKey (Click to copy)
SQRGZKXGTWPZKZ-SWLSCSKDSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-11-7-5-9-15(4)10-6-8-12(13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)CCC[C@H](C(O)(C)C)C2=C(C)C1

Other Databases

PubChem CID
42608145

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 249.49
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.35
Molar Refractivity 68.81

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Updated at
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