Structure database (LMSD)

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LM IDLMPR0105010003
Common NameC25 6,7-Epoxy highly branched isoprenoid
Systematic Name2,6,10,14-tetramethyl-6,7-epoxy-9-(3-methyl-pentyl)-pentadecane
Synonyms-
Exact Mass
366.3862 (neutral)    Calculate m/z:
FormulaC25H50O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID42608272
InChIKeyCKTDKWGLYNYMOS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C25H50O/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/h19-24H,9-18H2,1-8H3
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SMILES
CC(CCCC(C)C(CCC(C)CC)CC1OC1(CCCC(C)C)C)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
437.49Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP8.84Molar
Refractivity
117.64