Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103750001
Common NamePresilphiperfol-7(8)-ene
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 4Silphinane, silphiperfoliane and presilphiperfoliane sesquiterpenoids
[PR010375]
PubChem Compound ID (CID)42608189
InChIKeyPLHQUFSAXMJRAY-ZYTVVRLJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-10-5-6-12-13-11(10)7-8-15(13,4)9-14(12,2)3/h10-11H,5-9H2,1-4H
3/t10-,11?,15+/m0/s1
SMILESCC1(C)C[C@@]2(C)CCC3[C@@H](C)CCC1=C23
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 1999, 16, 21-38.
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
 logP4.56Molar
Refractivity
64.65    
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