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E-IRESINOSIDE
SpectraBase Compound ID 9wp5dJXg8EO
InChI InChI=1S/C28H28O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-11,19,21,24-26,28-31,34-36H,12-13H2,(H,32,33)/b10-3+/t19?,21-,24-,25+,26-,28?/m0/s1
InChIKey YGQAEFBMVJLDIV-ZZISOUCRSA-N
Mol Weight 556.52 g/mol
Molecular Formula C28H28O12
Exact Mass 556.158076 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcP0l3gGH1f
Name E-IRESINOSIDE
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Formula C28H28O12
InChI InChI=1S/C28H28O12/c29-13-21-24(34)25(35)26(36)28(40-21)39-20-11-18(10-3-14-1-6-16(30)7-2-14)38-27(37)23(20)19(12-22(32)33)15-4-8-17(31)9-5-15/h1-11,19,21,24-26,28-31,34-36H,12-13H2,(H,32,33)/b10-3+/t19?,21-,24-,25+,26-,28?/m0/s1
InChIKey YGQAEFBMVJLDIV-ZZISOUCRSA-N
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany