Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103190003
Common NameArtemisin (W)
Systematic Name-
Synonyms-
Exact Mass
282.1467 (neutral)    Calculate m/z:
FormulaC15H22O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Eudesmane sesquiterpenoids [PR010319]
PubChem CID68827
KEGG IDC09538
CAYMAN ID11816
InChIKeyBLUAFEHZUWYNDE-NNWCWBAJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15
/h8-11,13H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15-/m1/s1
SMILES[C@@]123OO[C@@]4(CC[C@@]1([H])[C@@H](CC[C@@]2([H])[C@H](C(=O)O[C@]3([H])O4)C)C)C
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings5Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
256.13Topological Polar
Surface Area
62.27Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP3.25Molar
Refractivity
69.58