Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103860002
Common Name(+)-Mayurone
Systematic Name(+)-15-nor-4-thujopsen-3-one
Synonyms-
Exact Mass
206.1671 (neutral)    Calculate m/z:
FormulaC14H22O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Thujopsane sesquiterpenoids [PR010386]
PubChem CID13154078
InChIKeyOZVBAFBRWKCCHV-BPNCWPANSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H22O/c1-12(2)6-4-7-13(3)8-5-11(15)10-9-14(10,12)13/h10H,4-9H2,1-3H3/
t10-,13-,14-/m0/s1
SMILESC1C[C@@]2(C)CCC(=O)[C@@H]3C[C@]23C(C)(C)C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
219.83Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP3.57Molar
Refractivity
60.52