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Derrichalcone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Derrichalcone
SpectraBase Compound ID 8qUfzqZP5Ft
InChI InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24?/m0/s1
InChIKey LJHGFVOYNHBEEI-JEPULSAOSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5fmDiyfNud
Name Derrichalcone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.183503235 u
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24?/m0/s1
InChIKey LJHGFVOYNHBEEI-JEPULSAOSA-N
Molecular Weight 452.503 g/mol
SMILES C12=C(C(C(\C=C\C=3C=CC(=CC3)O)=O)=C(C3=C1OC(C=C3)(C)C)O)OC(C([C@]2(O)[H])OC)(C)C