Structure Database (LMSD)

H H H
Common Name
beta-Bourbonene
Systematic Name
Synonyms
LM ID
LMPR0103870001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Bourbonane sesquiterpenoids [PR010387]

String Representations

InChiKey (Click to copy)
YIRAHEODBQONHI-ZQNQSHIBSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@@]12([H])CCC(=C)[C@]1([H])[C@@]1([H])[C@H](C(C)C)CC[C@]12C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Aristolochia (#12947)
Magnoliopsida (#3398)
Terpenoids of Aristolochia and their biological activities.,
Nat Prod Rep, 2004
Pubmed ID: 15459757

Other Databases

PubChem CID
62566

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.27
Molar Refractivity 64.51

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Updated at
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