Structure database (LMSD)

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LM IDLMFA05000014
Common NameGummiferol
Systematic Name8,9,10,11-diepoxy-14-acetoxy-12E-tetradecen-2,4,6-triyn-1-ol
Synonyms8,9,10,11-diepoxy-14-acetoxy-tetradeca-12E-en-2,4,6-triyn-1-ol
Exact Mass
286.0841 (neutral)    Calculate m/z:
FormulaC16H14O5
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283268
InChIKeyCVFDUGAXSFOYQC-VQHVLOKHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H14O5/c1-12(18)19-11-7-9-14-16(21-14)15-13(20-15)8-5-3-2-4-6-10-17/h
7,9,13-17H,10-11H2,1H3/b9-7+
SMILESC(CO)#CC#CC#CC1OC1C1OC1/C=C/COC(=O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
283.47Topological Polar
Surface Area
71.59Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP1.36Molar
Refractivity
76.54