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(E,5R,6R)-5-[3-[(4S,5S)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl]propanoyloxy]-6-(methoxymethoxy)dodec-2-enoic acid methyl ester
SpectraBase Compound ID H6lhwIlzQ1B
InChI InChI=1S/C25H42O8/c1-7-9-10-11-13-20(30-18-28-5)21(14-12-15-23(26)29-6)31-24(27)17-16-22-19(8-2)32-25(3,4)33-22/h8,12,15,19-22H,2,7,9-11,13-14,16-18H2,1,3-6H3/b15-12+/t19-,20+,21+,22-/m0/s1
InChIKey NIBNIKWCHUINCW-CITBOHMRSA-N
Mol Weight 470.6 g/mol
Molecular Formula C25H42O8
Exact Mass 470.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AmM0Cfz2qzk
Name (E,5R,6R)-5-[3-[(4S,5S)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl]propanoyloxy]-6-(methoxymethoxy)dodec-2-enoic acid methyl ester
Alternate Name(s) (E,5R,6R)-5-[3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-oxopropoxy]-6-(methoxymethoxy)-2-dodecenoic acid methyl ester Methyl (E,5R,6R)-5-[3-[(4S,5S)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl]propanoyloxy]-6-(methoxymethoxy)dodec-2-enoate Methyl (E,5R,6R)-5-[3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoyloxy]-6-(methoxymethoxy)dodec-2-enoate
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Formula C25H42O8
InChI InChI=1S/C25H42O8/c1-7-9-10-11-13-20(30-18-28-5)21(14-12-15-23(26)29-6)31-24(27)17-16-22-19(8-2)32-25(3,4)33-22/h8,12,15,19-22H,2,7,9-11,13-14,16-18H2,1,3-6H3/b15-12+/t19-,20+,21+,22-/m0/s1
InChIKey NIBNIKWCHUINCW-CITBOHMRSA-N
Molecular Weight 470.603 g/mol
SMILES C(\C=C\C[C@]([C@@](CCCCCC)(OCOC)[H])(OC(CC[C@@]1(OC(O[C@]1(C=C)[H])(C)C)[H])=O)[H])(=O)OC
SPLASH splash10-004i-3910000000-28db929c90fe8ea5e622
Source of Spectrum O1-62-731-21
Wiley ID 1592437