Structure Database (LMSD)

Common Name
Dendrotrifidiol
Systematic Name
Octadeca-9Z,17-diene-12,14-diyne-1,16R-diol
Synonyms
  • (R)-(Z)-9,17-octadecadiene-12,14-diyne-l,16-diol
LM ID
LMFA05000730
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
Sum Composition
FOH 18:6;O
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Dendropanax trifidus (#96665)
Magnoliopsida (#3398)
Synthesis of (±)-Dendrotrifidiol and Its Naturally Occurring Analogs,
Agric. BioI. Chem., 1977

String Representations

InChiKey (Click to copy)
ODKNULFBMLGPHW-WLPBJKJWSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-2-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h2,4,6,18-20H,1,3,5,7-9,11,13,15,17H2/b6-4-/t18-/m1/s1
SMILES (Click to copy)
C(CCCCCCC/C=C\CC#CC#C[C@H](O)C=C)O

Other Databases

PubChem CID
156013283

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 321.70
Topological Polar Surface Area 40.46
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 2
logP 3.78
Molar Refractivity 85.92

Admin

Created at
8th Apr 2021
Updated at
8th Apr 2021