Structure database (LMSD)

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LM IDLMPK09000004
Common Name2S,5R-chalcogran
Systematic Name(2S,5R)-2-Ethyl-1,6-dioxaspiro[4.4]nonane
Synonyms-
Exact Mass
156.1150 (neutral)    Calculate m/z:
FormulaC9H16O2
CategoryPolyketides [PK]
Main ClassPolyether antibiotics [PK09]
Sub Class-
PubChem CID11116298
InChIKeyDCWKALWZHORJAO-BDAKNGLRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16O2/c1-2-8-4-6-9(11-8)5-3-7-10-9/h8H,2-7H2,1H3/t8-,9+/m1/s1
SMILESC1[C@@]2(O[C@@](CC)([H])CC2)OCC1
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms11Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
157.12Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP2.94Molar
Refractivity
43.83