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Eryvarin I [7-hydroxy-2'-methoxy-2'',2''-dimethylpyrano[5'',6'':3',4']isoflav-3-ene]
SpectraBase Compound ID HbMAnm4T4DH
InChI InChI=1S/C21H20O4/c1-21(2)9-8-17-18(25-21)7-6-16(20(17)23-3)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-11,22H,12H2,1-3H3
InChIKey VUYMODNLGLKMDR-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AF0nLlMoxoh
Name Eryvarin I [7-hydroxy-2'-methoxy-2'',2''-dimethylpyrano[5'',6'':3',4']isoflav-3-ene]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-21(2)9-8-17-18(25-21)7-6-16(20(17)23-3)14-10-13-4-5-15(22)11-19(13)24-12-14/h4-11,22H,12H2,1-3H3
InChIKey VUYMODNLGLKMDR-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
SMILES C12=C(C(C3=CC=4C=CC(=CC4OC3)O)=CC=C2OC(C=C1)(C)C)OC