Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103650001
Common Name(-)-Solavetivone
Systematic Name-
Synonyms-
Exact Mass
218.1671 (neutral)    Calculate m/z:
FormulaC15H22O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Spirovetivane sesquiterpenoids [PR010365]
PubChem CID42608177
InChIKeyFGCUSSRGQNHZRW-IPYPFGDCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8
-9H2,2-4H3/t12-,13+,15+/m1/s1
SMILESC1(=O)C=C(C)[C@]2(C[C@@H](C(=C)C)CC2)[C@H](C)C1
StatusActive
ReferencesJ. Org. Chem., 2004, 69 (21), 7294-7302.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings2Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
244.21Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.90Molar
Refractivity
67.13