Structure database (LMSD)

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LM IDLMPR0105040001
Common Name(+)-Dysideapalaunic acid
Systematic Name-
Synonyms-
Exact Mass
372.3028 (neutral)    Calculate m/z:
FormulaC25H40O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Bicyclic sesterterpenoids [PR010504]
PubChem CID42608277
InChIKeyVMXBEUNFNFIWLY-HKAUEAINSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-
19(3)17-23(26)27/h9,17,22H,7-8,10-16H2,1-6H3,(H,26,27)/b19-17+/t22?,24-,25-/m1/s
1
SMILESC1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)CCC2[C@@](CC/C=C(\C)/C)(C)C1
StatusActive
ReferencesBreitmaier, E. Terpenes: flavors, fragrances, pharmaca, pheromones. Weinheim, Germany: WILEY-VCH, 2006.
Calculated physicochemical properties (?):
 Heavy Atoms27Rings2Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
423.36Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP7.47Molar
Refractivity
114.78