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Daucoidin A

View entire compound with spectra: 1 NMR

Daucoidin A
SpectraBase Compound ID Jl6yOLcEdAL
InChI InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-15(21)14-12(23-17)8-6-11-7-9-13(20)24-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-/t15-,17+/m1/s1
InChIKey GZAQAICYIHWIAX-IJOJBTCESA-N
Mol Weight 344.36 g/mol
Molecular Formula C19H20O6
Exact Mass 344.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ytHeagvZHB
Name Daucoidin A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 344.125988358 u
Formula C19H20O6
InChI InChI=1S/C19H20O6/c1-5-10(2)18(22)25-19(3,4)17-15(21)14-12(23-17)8-6-11-7-9-13(20)24-16(11)14/h5-9,15,17,21H,1-4H3/b10-5-/t15-,17+/m1/s1
InChIKey GZAQAICYIHWIAX-IJOJBTCESA-N
Molecular Weight 344.363 g/mol
SMILES C(\C(=C/C)C)(=O)OC(C)(C)[C@]1(OC2=C(C=3OC(C=CC3C=C2)=O)[C@]1(O)[H])[H]