Structure database (LMSD)

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LM IDLMFA05000028
Common NamePanaxydol
Systematic Name9,10-epoxy-1-heptadecen-4,6-diyn-3-ol
Synonyms9,10-epoxy-heptadeca-1-en-4,6-diyn-3-ol
Exact Mass
260.1776 (neutral)    Calculate m/z:
FormulaC17H24O2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283280
HMDB IDHMDB0034000
InChIKeyGVLDSGIQZAFIAN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,
2-3,5-7,10,13-14H2,1H3
SMILESC(O)(C=C)C#CC#CCC1OC1CCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings1Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
294.68Topological Polar
Surface Area
32.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.92Molar
Refractivity
79.95