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Xanthohumol, triacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Xanthohumol, triacetate
SpectraBase Compound ID 7R3pVCWXpvx
InChI InChI=1S/C27H28O8/c1-16(2)7-13-22-24(34-18(4)29)15-25(32-6)26(27(22)35-19(5)30)23(31)14-10-20-8-11-21(12-9-20)33-17(3)28/h7-12,14-15H,13H2,1-6H3/b14-10+
InChIKey UQVMVRQZPUBDOJ-GXDHUFHOSA-N
Mol Weight 480.51 g/mol
Molecular Formula C27H28O8
Exact Mass 480.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Af61Q8hVbth
Name Xanthohumol, triacetate
Comments Computed using HOSE algorithm
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Exact Mass 480.178417854 u
Formula C27H28O8
InChI InChI=1S/C27H28O8/c1-16(2)7-13-22-24(34-18(4)29)15-25(32-6)26(27(22)35-19(5)30)23(31)14-10-20-8-11-21(12-9-20)33-17(3)28/h7-12,14-15H,13H2,1-6H3/b14-10+
InChIKey UQVMVRQZPUBDOJ-GXDHUFHOSA-N
Molecular Weight 480.513 g/mol
SMILES C(\C=C\C1=CC=C(C=C1)OC(=O)C)(=O)C1=C(OC)C=C(OC(=O)C)C(=C1OC(=O)C)CC=C(C)C