Structure Database (LMSD)

Common Name
Brasila-5,10-diene
Systematic Name
Synonyms
LM ID
LMPR0103290001
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
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Conocephalum conicum (#41839)
Marchantiopsida (#186770)
Sesquiterpenes from the essential oil of the liverwort Conocephalum conicum,
Phytochemistry, 1999

String Representations

InChiKey (Click to copy)
KUBSAWBFAOYMLQ-SMDDNHRTSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h11,14H,1,6-9H2,2-5H3/t11-,14+/m0/s1
SMILES (Click to copy)
C12CC[C@H](C)[C@@]1([H])CC(C)(C)CC=2C(=C)C

Other Databases

PubChem CID
15484922

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Updated at
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