Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0105010001
Common NameC25:3 6,7-Epoxy highly branched isoprenoid
Systematic Name2,6,14-trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadec-2-ene
Synonyms-
Exact Mass
360.3392 (neutral)    Calculate m/z:
FormulaC25H44O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID42608270
InChIKeyDFYPQSCRXJHGDF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H44O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-13-20(4)5/h9,13,19,21,23-24H,1,7,10-12,14-18H2,2-6,8H3
Click to highlight InChI
SMILES
CC(CCCC(=C)C(CCC(C)C=C)CC1OC1(CC/C=C(\C)/C)C)C
Click to highlight SMILES
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
429.57Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP8.45Molar
Refractivity
117.50