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Methyl asterrate, 2ac derivative

View entire compound with spectra: 1 NMR

Methyl asterrate, 2ac derivative
SpectraBase Compound ID DJvKrHGj7mB
InChI InChI=1S/C22H22O10/c1-11-7-16(31-13(3)24)19(22(26)29-6)17(8-11)32-20-15(21(25)28-5)9-14(30-12(2)23)10-18(20)27-4/h7-10H,1-6H3
InChIKey IDNMXGYLPITLIG-UHFFFAOYSA-N
Mol Weight 446.41 g/mol
Molecular Formula C22H22O10
Exact Mass 446.121297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D9EAvk24OF5
Name Methyl asterrate, 2ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 446.121296898 u
Formula C22H22O10
InChI InChI=1S/C22H22O10/c1-11-7-16(31-13(3)24)19(22(26)29-6)17(8-11)32-20-15(21(25)28-5)9-14(30-12(2)23)10-18(20)27-4/h7-10H,1-6H3
InChIKey IDNMXGYLPITLIG-UHFFFAOYSA-N
Molecular Weight 446.408 g/mol
SMILES C(C1=C(C(=CC(=C1)OC(=O)C)OC)OC1=C(C(=CC(=C1)C)OC(=O)C)C(=O)OC)(=O)OC