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[2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate, ac derivative
SpectraBase Compound ID 8ETzGJsl42s
InChI InChI=1S/C22H26O8/c1-12(2)9-19(25)30-20(21(22(4,5)26)28-13(3)23)15-10-14-7-8-18(24)29-16(14)11-17(15)27-6/h7-11,20-21,26H,1-6H3
InChIKey POBDTCWAFRCKTN-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xloO9B6jYq
Name [2,3-Dihydroxy-1-(7-methoxy-2-oxochromen-6-yl)-3-methylbutyl] 3-methylbut-2-enoate, ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.162767789 u
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-12(2)9-19(25)30-20(21(22(4,5)26)28-13(3)23)15-10-14-7-8-18(24)29-16(14)11-17(15)27-6/h7-11,20-21,26H,1-6H3
InChIKey POBDTCWAFRCKTN-UHFFFAOYSA-N
Molecular Weight 418.442 g/mol
SMILES C(C=C(C)C)(=O)OC(C(C(O)(C)C)OC(C)=O)C1=C(C=C2OC(C=CC2=C1)=O)OC