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Plakortide I methyl ester
SpectraBase Compound ID sD7rwPtdOa
InChI InChI=1S/C21H38O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h11,14,17-19H,6-10,12-13,15-16H2,1-5H3/b14-11+/t17?,18-,19-,21+/m1/s1
InChIKey WKSNJOKERITOCJ-HWQRZONISA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iX2cfUUXoX
Name Plakortide I methyl ester
Alternate Name(s) [(3R,4R,6R)-4,6-Diethyl-6-((E)-4-ethyl-oct-1-enyl)-[1,2]dioxan-3-yl]-acetic acid methyl ester 2-[(3R,4R,6R)-4,6-diethyl-6-[(E)-4-ethyloct-1-enyl]-3-dioxanyl]acetic acid methyl ester Methyl 2-[(3R,4R,6R)-4,6-diethyl-6-[(E)-4-ethyloct-1-enyl]dioxan-3-yl]acetate Methyl 2-[(3R,4R,6R)-4,6-diethyl-6-[(E)-4-ethyloct-1-enyl]-1,2-dioxan-3-yl]ethanoate
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Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-6-10-12-17(7-2)13-11-14-21(9-4)16-18(8-3)19(24-25-21)15-20(22)23-5/h11,14,17-19H,6-10,12-13,15-16H2,1-5H3/b14-11+/t17?,18-,19-,21+/m1/s1
InChIKey WKSNJOKERITOCJ-HWQRZONISA-N
Molecular Weight 354.531 g/mol
SMILES [C@]1(OO[C@](C[C@]1(CC)[H])(\C=C\CC(CC)CCCC)CC)(CC(=O)OC)[H]
SPLASH splash10-014r-0079000000-dd083215f91fc418efb9
Source of Spectrum F-56-7965-2a
Wiley ID 858851