Structure database (LMSD)

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LM IDLMPR0103870001
Common Nameβ-Bourbonene
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 4Bourbonane sesquiterpenoids [PR010387]
PubChem CID62566
InChIKeyYIRAHEODBQONHI-ZQNQSHIBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1
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SMILES
[C@@]12([H])CCC(=C)[C@]1([H])[C@@]1([H])[C@H](C(C)C)CC[C@]12C
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StatusActive
ReferencesNat. Prod. Rep., 2004, 21, 594-624.
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.27Molar
Refractivity
64.51