POLYGLYCERYL-10 DECA- LINOLEATE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key LZJXYEUFEJOSIU-WIVAWARHSA-N
Smiles CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/CCCCCCCC(O)=O.CCCCC/C=C/C/C=C/C=C/C/C=C/CCC(O)=O.CCCC/C=C/C/C=C/CCCC/C=C/C=C/CCC(O)=O.CCC/C=C/C=C/C/C=C/C=C/CCCCCC(O)=O.CCC/C=C/C=C/C/C=C/C=C/C=C/CCCC(O)=O.CC/C=C/CCCCCCC/C=C/C=C/CCCC(O)=O.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChI
InChI=1S/C20H32O2.C19H32O2.6C18H32O2.2C18H28O2.C18H26O2.3C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21;9*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*4-1-3(6)2-5/h5-6,8-9,14-17H,2-4,7,10-13,18-19H2,1H3,(H,21,22);3-4,12-15H,2,5-11,16-18H2,1H3,(H,20,21);6*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);6-7,9-12,14-15H,2-5,8,13,16-17H2,1H3,(H,19,20);4-7,9-12H,2-3,8,13-17H2,1H3,(H,19,20);4-7,9-14H,2-3,8,15-17H2,1H3,(H,19,20);3*3-6H,1-2H2/b6-5+,9-8+,15-14+,17-16+;4-3+,13-12+,15-14+;6*7-6+,10-9+;7-6+,10-9+,12-11+,15-14+;5-4+,7-6+,10-9+,12-11+;5-4+,7-6+,10-9+,12-11+,14-13+;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32O2
Molecular Weight 3380.68
AlogP 58.66
Hydrogen Bond Acceptor 20.0
Hydrogen Bond Donor 20.0
Number of Rotational Bond 153.0
Polar Surface Area 592.37
Heavy Atoms 241.0

Cross References

Resources Reference
CAS NUMBER 68900-96-9
NORMAN SUSDAT
ChemSpider 10160494.0
CONTENTS