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Trifolirhizin, tetramethyl ether

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Trifolirhizin, tetramethyl ether
SpectraBase Compound ID FckFHfGx2R4
InChI InChI=1S/C26H30O10/c1-27-11-21-23(28-2)24(29-3)25(30-4)26(36-21)34-13-5-6-14-17(7-13)31-10-16-15-8-19-20(33-12-32-19)9-18(15)35-22(14)16/h5-9,16,21-26H,10-12H2,1-4H3/t16-,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey PLKFTBOWIDZJBB-IINBOMDOSA-N
Mol Weight 502.52 g/mol
Molecular Formula C26H30O10
Exact Mass 502.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2T1ZOlep9th
Name Trifolirhizin, tetramethyl ether
Comments Computed using HOSE algorithm
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Exact Mass 502.183897156 u
Formula C26H30O10
InChI InChI=1S/C26H30O10/c1-27-11-21-23(28-2)24(29-3)25(30-4)26(36-21)34-13-5-6-14-17(7-13)31-10-16-15-8-19-20(33-12-32-19)9-18(15)35-22(14)16/h5-9,16,21-26H,10-12H2,1-4H3/t16-,21+,22-,23+,24-,25+,26+/m0/s1
InChIKey PLKFTBOWIDZJBB-IINBOMDOSA-N
Molecular Weight 502.516 g/mol
SMILES [C@@]1(OC=2C=C3C([C@]4([H])OC=5C=C6C(OCO6)=CC5[C@]4([H])CO3)=CC2)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]