Structure database (LMSD)

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LM IDLMPR0103470002
Common Name3(15)-Africanene
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 4Africanane sesquiterpenoids [PR010347]
PubChem CID42608165
InChIKeyWXGMXZIDGRJJPK-SFDCQRBFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24/c1-10-5-6-13-12(10)9-14(2,3)7-11-8-15(11,13)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,15+/m0/s1
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SMILES
[C@]12([H])CC(C)(C)C[C@H]3C[C@@]3(C)[C@@]1([H])CCC2=C
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StatusActive
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