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seco-Plakortide I methyl ester
SpectraBase Compound ID ERSiUIl06v0
InChI InChI=1S/C22H42O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h15,18-20,23,25H,7-14,16H2,1-6H3/b17-15+/t18?,19-,20-,22+/m1/s1
InChIKey ULVAKGJKNAJAKM-XCLDZUIESA-N
Mol Weight 370.6 g/mol
Molecular Formula C22H42O4
Exact Mass 370.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJRlsS4ShtM
Name seco-Plakortide I methyl ester
Alternate Name(s) (E)-(3R,4R,6R)-4,6,10-Triethyl-3,6-dihydroxy-tetradec-7-enoic acid methyl ester
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Formula C22H42O4
InChI InChI=1S/C22H42O4/c1-7-11-12-18(8-2)13-17(5)15-22(25,10-4)16-19(9-3)20(23)14-21(24)26-6/h15,18-20,23,25H,7-14,16H2,1-6H3/b17-15+/t18?,19-,20-,22+/m1/s1
InChIKey ULVAKGJKNAJAKM-XCLDZUIESA-N
Molecular Weight 370.574 g/mol
SMILES O[C@](C[C@]([C@@](CC(=O)OC)(O)[H])(CC)[H])(\C=C\(CC(CC)CCCC)C)CC
SPLASH splash10-0fdo-0009000000-a34c8f843f29601e17c1
Source of Spectrum F-56-7965-5
Wiley ID 858849