Structure database (LMSD)

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LM IDLMPR0105010004
Common NameC25:4 Highly branched isoprenoid A
Systematic Name2,6,10,14-tetramethyl-7-(3-methylene-pent-4-enyl)-pentadeca-5E,9E-diene
Synonyms-
Exact Mass
344.3443 (neutral)    Calculate m/z:
FormulaC25H44
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID6430598
InChIKeyQWAOQWFXPUZRSC-BXPHKCKFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H44/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/h9,15,17,20-21,25H,1,6,10-14,16,18-19H2,2-5,7-8H3/b23-17+,24-15+
SMILESCC(CC/C=C(\C)/C(CCC(=C)C=C)C/C=C(/CCCC(C)C)\C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
430.50Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP8.67Molar
Refractivity
116.95