Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103570001
Common Name(-)-Tamariscol
Systematic Name-
Synonyms-
Exact Mass
222.1984 (neutral)    Calculate m/z:
FormulaC15H26O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Perforane and pacifigorgiane sesquiterpenoids [PR010357]
PubChem CID14828890
InChIKeyJOARPSTUQGJONT-VQJWOFKYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H
2,1-4H3/t11-,12-,13+,14+,15+/m0/s1
SMILESC1C[C@]2([H])[C@@H](C)CC[C@@]2([H])[C@@](O)(/C=C(\C)/C)[C@H]1C
MS Spectra-     
StatusActive
ReferencesJ. Chem. Soc. Perkin Trans. 1990, 1, 2849-2850.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
249.49Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.06Molar
Refractivity
68.67