Structure database (LMSD)

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LM IDLMPR0105010008
Common NameC25:3 Highly branched isoprenoid B
Systematic Name2,6,10,14-tetramethyl-9E-(3-methylpent-4-enylidene)-pentadec-6Z-ene
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 CID6430522
InChIKeyMRPCXANBZDEYCG-BRYXKCCLSA-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/h9,17-18,20-22,24H,1,10-16,19H2,2-8H3/b23-17-,25-18+
SMILESCC(C)CCCC(/C(/C/C=C(/C)\CCCC(C)C)=C/CC(C=C)C)C
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