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Meridinol, me derivative

View entire compound with spectra: 1 NMR

Meridinol, me derivative
SpectraBase Compound ID 5yDYJefZnFj
InChI InChI=1S/C21H20O7/c1-23-21(9-14-3-5-17-19(8-14)28-12-26-17)15(10-24-20(21)22)6-13-2-4-16-18(7-13)27-11-25-16/h2-5,7-8,15H,6,9-12H2,1H3/t15-,21-/m0/s1
InChIKey FQKJTPZUXJMPBJ-BTYIYWSLSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjqponMwn14
Name Meridinol, me derivative
Comments Computed using HOSE algorithm
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Exact Mass 384.120902977 u
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-23-21(9-14-3-5-17-19(8-14)28-12-26-17)15(10-24-20(21)22)6-13-2-4-16-18(7-13)27-11-25-16/h2-5,7-8,15H,6,9-12H2,1H3/t15-,21-/m0/s1
InChIKey FQKJTPZUXJMPBJ-BTYIYWSLSA-N
Molecular Weight 384.384 g/mol
SMILES C12=C(C=CC(=C2)C[C@@]2([C@@](CC3=CC=C4C(=C3)OCO4)(COC2=O)[H])OC)OCO1