Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103010004
Common NameJuvenile hormone III (W)
Systematic Name-
Synonyms-
Exact Mass
266.1882 (neutral)    Calculate m/z:
FormulaC16H26O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Acyclic farnesane sesquiterpenoids [PR010301]
PubChem CID5281523
KEGG IDC09694
CHEBI ID27493
InChIKeyQVJMXSGZTCGLHZ-HONBPKQLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+/t14-/m1/s1
Click to highlight InChI
SMILES
[C@H]1(CC/C(/C)=C/CC/C(/C)=C/C(=O)OC)OC1(C)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
291.45Topological Polar
Surface Area
38.83Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP4.36Molar
Refractivity
77.97