Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103750002
Common Name(-)-8β-Presilphiperfolanol
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 4Silphinane, silphiperfoliane and presilphiperfoliane sesquiterpenoids
[PR010375]
PubChem CID42608190
InChIKeyZCRYDCBITZERMT-PRSHDEELSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O/c1-10-5-6-12-13(2,3)9-14(4)8-7-11(10)15(12,14)16/h10-12,16H,5-9
H2,1-4H3/t10-,11+,12+,14+,15-/m0/s1
SMILES[C@@]12(O)[C@H]3[C@@H](C)CC[C@@H]1C(C)(C)C[C@@]2(C)CC3
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
239.77Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP3.90Molar
Refractivity
66.58