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beta-Peltatin, ac derivative

View entire compound with spectra: 1 NMR

beta-Peltatin, ac derivative
SpectraBase Compound ID AWI4DSPHary
InChI InChI=1S/C24H24O9/c1-11(25)33-21-15-5-13-9-30-24(26)20(13)19(14(15)8-18-23(21)32-10-31-18)12-6-16(27-2)22(29-4)17(7-12)28-3/h6-8,13,19-20H,5,9-10H2,1-4H3/t13-,19+,20-/m0/s1
InChIKey LNUAGMLZVXMDQL-SVIJTADQSA-N
Mol Weight 456.45 g/mol
Molecular Formula C24H24O9
Exact Mass 456.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJTRMHQZyrS
Name beta-Peltatin, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 456.142032344 u
Formula C24H24O9
InChI InChI=1S/C24H24O9/c1-11(25)33-21-15-5-13-9-30-24(26)20(13)19(14(15)8-18-23(21)32-10-31-18)12-6-16(27-2)22(29-4)17(7-12)28-3/h6-8,13,19-20H,5,9-10H2,1-4H3/t13-,19+,20-/m0/s1
InChIKey LNUAGMLZVXMDQL-SVIJTADQSA-N
Molecular Weight 456.447 g/mol
SMILES C12=C(C=C3C(=C2OC(C)=O)C[C@@]2([C@@]([C@@]3(C3=CC(=C(C(=C3)OC)OC)OC)[H])(C(OC2)=O)[H])[H])OCO1