Structure database (LMSD)

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LM IDLMPR0103510001
Common Name(+)-β-Isolongibornene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longibornane sesquiterpenoids [PR010351]
PubChem CID42608170
InChIKeyOYBHJKDJMRMSLX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-11-6-7-12-13(10)14(2,3)8-5-9-15(11,12)4/h11-13H,1,5-9H2,2-
4H3
SMILESC1(=C)C2C(C)(C)CCCC3(C)C1CCC23
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2005, 22, 465-486.
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.42Molar
Refractivity
64.58