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.alpha.-Peltatin, 2ac derivative

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.alpha.-Peltatin, 2ac derivative
SpectraBase Compound ID Fv95Bs6eJv1
InChI InChI=1S/C25H24O10/c1-11(26)34-22-16-5-14-9-31-25(28)21(14)20(15(16)8-19-24(22)33-10-32-19)13-6-17(29-3)23(35-12(2)27)18(7-13)30-4/h6-8,14,20-21H,5,9-10H2,1-4H3/t14-,20+,21-/m0/s1
InChIKey LDDLNAYISUBHBN-DLPLYFIVSA-N
Mol Weight 484.46 g/mol
Molecular Formula C25H24O10
Exact Mass 484.136947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BivIPMIMBCS
Name .alpha.-Peltatin, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 484.136946963 u
Formula C25H24O10
InChI InChI=1S/C25H24O10/c1-11(26)34-22-16-5-14-9-31-25(28)21(14)20(15(16)8-19-24(22)33-10-32-19)13-6-17(29-3)23(35-12(2)27)18(7-13)30-4/h6-8,14,20-21H,5,9-10H2,1-4H3/t14-,20+,21-/m0/s1
InChIKey LDDLNAYISUBHBN-DLPLYFIVSA-N
Molecular Weight 484.457 g/mol
SMILES C1OC=2C(O1)=CC1=C(C2OC(=O)C)C[C@@]2([C@@]([C@@]1(C1=CC(=C(C(=C1)OC)OC(=O)C)OC)[H])(C(OC2)=O)[H])[H]