Structure database (LMSD)

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LM IDLMPK09000015
Common Name-
Systematic Name(2S,4R,6R,8S)-2,4,8-Trimethyl-1,7-dioxaspiro-[5.5]undecane
Synonyms-
Exact Mass
198.1620 (neutral)    Calculate m/z:
FormulaC12H22O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID10442731
InChIKeyGQFXONDLLBLIDP-NOOOWODRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H22O2/c1-9-7-11(3)14-12(8-9)6-4-5-10(2)13-12/h9-11H,4-8H2,1-3H3/t9-,
10+,11+,12-/m1/s1
SMILESO1[C@]2(CCC[C@H](C)O2)C[C@H](C)C[C@@H]1C
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms14Rings2Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
209.02Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.97Molar
Refractivity
57.61