Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0105010007
Common NameC25:3 Highly branched isoprenoid A
Systematic Name2,6,10,14-tetramethyl-9-(3-methylpent-4-enyl)-pentadeca-2,10E-diene
Synonyms-
Exact Mass
346.3600 (neutral)    Calculate m/z:
FormulaC25H46
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID12136213
InChIKeyJDHHFJFXMJUWSN-BUVRLJJBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H46/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2
)3/h9,12,15,21-23,25H,1,10-11,13-14,16-19H2,2-8H3/b24-15+
SMILESC(CC/C=C(/C(CCC(C)C=C)CCC(C)CC/C=C(\C)/C)\C)(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
433.14Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.75Molar
Refractivity
116.98