Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104100002
Common Name(+)-Luricularic acid
Systematic Name(+)-13(17),15-cleistanthadiene-18-oic acid
Synonyms-
Exact Mass
302.2246 (neutral)    Calculate m/z:
FormulaC20H30O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Cleistanthane and isocleistanthane diterpenoids [PR010410]
PubChem CID42608215
InChIKeyXFHAKDIYTJGGSQ-YNTQHKJPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O2/c1-5-14-13(2)7-9-16-15(14)8-10-17-19(16,3)11-6-12-20(17,4)18(2
1)22/h5,14-17H,1-2,6-12H2,3-4H3,(H,21,22)/t14-,15-,16?,17+,19+,20+/m0/s1
SMILESC1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])[C@@]1(C(=O)O)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
327.14Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.06Molar
Refractivity
89.47