Structure Database (LMSD)

Common Name
Presilphiperfol-7(8)-ene
Systematic Name
Synonyms
LM ID
LMPR0103750001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Curated
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
Echinops (#32194)
Magnoliopsida (#3398)
Natural sesquiterpenoids,
Nat Prod Rep, 1999

String Representations

InChiKey (Click to copy)
PLHQUFSAXMJRAY-ZYTVVRLJSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-5-6-12-13-11(10)7-8-15(13,4)9-14(12,2)3/h10-11H,5-9H2,1-4H3/t10-,11?,15+/m0/s1
SMILES (Click to copy)
C12C3[C@@H](C)CCC=1C(C)(C)C[C@@]2(C)CC3

Other Databases

PubChem CID
42608189

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 4.56
Molar Refractivity 64.65

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Updated at
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