Structure Database (LMSD)

Common Name
3(15)-Africanene
Systematic Name
Synonyms
LM ID
LMPR0103470002
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Africanane sesquiterpenoids [PR010347]

String Representations

InChiKey (Click to copy)
WXGMXZIDGRJJPK-SFDCQRBFSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@]12([H])CC(C)(C)C[C@H]3C[C@@]3(C)[C@@]1([H])CCC2=C

Other Databases

PubChem CID
42608165

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 64.58

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Created at
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Updated at
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