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2',3,4-Trihydroxy-6'-methoxy-2'',2''-dimethylpyrano[2'',3'':3',4']-chalcone, 3-hydroxyxanthohumol C
SpectraBase Compound ID IMoKYt24vC2
InChI InChI=1S/C21H20O6/c1-21(2)9-8-13-17(27-21)11-18(26-3)19(20(13)25)15(23)7-5-12-4-6-14(22)16(24)10-12/h4-11,22,24-25H,1-3H3/b7-5+
InChIKey AFSMQHYWBZUIHF-FNORWQNLSA-N
Mol Weight 368.39 g/mol
Molecular Formula C21H20O6
Exact Mass 368.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4NCrp2kq8sb
Name 2',3,4-Trihydroxy-6'-methoxy-2'',2''-dimethylpyrano[2'',3'':3',4']-chalcone, 3-hydroxyxanthohumol C
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.125988358 u
Formula C21H20O6
InChI InChI=1S/C21H20O6/c1-21(2)9-8-13-17(27-21)11-18(26-3)19(20(13)25)15(23)7-5-12-4-6-14(22)16(24)10-12/h4-11,22,24-25H,1-3H3/b7-5+
InChIKey AFSMQHYWBZUIHF-FNORWQNLSA-N
Molecular Weight 368.385 g/mol
SMILES C=1(C(=C2C=CC(OC2=CC1OC)(C)C)O)C(\C=C\C1=CC(O)=C(C=C1)O)=O