Structure database (LMSD)

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LM IDLMFA01140029
Common NameDihydroxychaulmoogric acid
Systematic NameDihydroxy-2-cyclopentene-1-tridecanoic acid
Synonyms-
Exact Mass
312.2301 (neutral)    Calculate m/z:
FormulaC18H32O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID131839789
PlantFA ID10222
InChIKeyAVUCHZPQKYTWLG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H32O4/c19-16-14-13-15(18(16)22)11-9-7-5-3-1-2-4-6-8-10-12-17(20)21/h
15,19,22H,1-14H2,(H,20,21)
SMILESC(CCCCCCCCCCCCC1CCC(O)=C1O)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
337.48Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP5.49Molar
Refractivity
88.05