Structure database (LMSD)

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LM IDLMPR0103220001
Common NameFarfugin A
Systematic Name-
Synonyms-
Exact Mass
214.1358 (neutral)    Calculate m/z:
FormulaC15H18O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Farfugin sesquiterpenoids [PR010322]
PubChem CID42608143
CHEBI ID137841
InChIKeyQUNSESJRLJEVEV-VIFPVBQESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H18O/c1-9-5-4-6-12-10(2)7-13-15(14(9)12)11(3)8-16-13/h7-9H,4-6H2,1-3H3/t9-/m0/s1
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SMILES
C1CC2C(C)=CC3OC=C(C)C=3C=2[C@@H](C)C1
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StatusActive
ReferencesBulletin of the Chemical Society of Japan, 1977, Vol.50 , No.2, 463-465.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings2Rotatable Bonds0
 van der Waals
Molecular Volume
207.41Topological Polar
Surface Area
13.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.49Molar
Refractivity
67.04