Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103630001
Common NameFurodysin
Systematic Name-
Synonyms-
Exact Mass
216.1514 (neutral)    Calculate m/z:
FormulaC15H20O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Furodysin and furodysinin sesquiterpenoids [PR010363]
PubChem CID360242
InChIKeyDIPYJSWOBDKTRL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H20O/c1-10-4-5-13-12(8-10)9-11-6-7-16-14(11)15(13,2)3/h6-8,12-13H,4-
5,9H2,1-3H3
SMILESC1(C)=CC2CC3C=COC=3C(C)(C)C2CC1
StatusActive
ReferencesPhytochemistry. 1982, Volume 38, Issue 13, 1875-1879.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings1Rotatable Bonds0
 van der Waals
Molecular Volume
220.95Topological Polar
Surface Area
13.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.09Molar
Refractivity
65.41