Structure database (LMSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMPR0105010011
Common Name	C25:2 Highly branched isoprenoid
Systematic Name	2,10,14-trimethyl-6-methylene-7-(3-methyl-pent-4-enyl)-pentadecane
Synonyms	-
Exact Mass	348.3756 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C25H48
Category	Prenol Lipids [PR]
Main Class	Isoprenoids [PR01]
Sub Class	C25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4	Acyclic sesterterpenoids [PR010501]
PubChem CID	12067128
InChIKey	RNCKFEUHFHLLAW-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI	InChI=1S/C25H48/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/h9,20-23,25H,1,8,10-19H2,2-7H3
SMILES	CC(C)CCCC(C(CCC(CCCC(C)C)C)CCC(C=C)C)=C
MS Spectra	-
Status	Active
Calculated physicochemical properties (?):
Heavy Atoms 25 Rings 0 Aromatic Rings 0 Rotatable Bonds 16   van der Waals Molecular Volume 435.78 Topological Polar Surface Area 0.00 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 0   logP 8.83 Molar Refractivity 117.00