Structure database (LMSD)

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LM IDLMFA05000027
Common NamePanaxytriol (W)
Systematic Name1-heptadecen-4,6-diyn-3,9,10-triol
Synonymsheptadeca-1-en-4,6-diyn-3,9,10-triol
Exact Mass
278.1882 (neutral)    Calculate m/z:
FormulaC17H26O3
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID93484
HMDB IDHMDB0031928
InChIKeyRDIMTXDFGHNINN-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h4,15-20H,
2-3,5-7,10,13-14H2,1H3
SMILESC(O)(C=C)C#CC#CCC(O)C(O)CCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
315.83Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP2.87Molar
Refractivity
83.30