For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3o8NOJtI8zN
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.287968304 u
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