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PHYLLANONE-A;3,5,7-TRIHYDROXY-5'-METHOXY-2',3'-DIMETHYL-8-(3-METHYLBUT-2-ENYL)-[3,6'-BIS-2H-1-BENZOPYRAN]-4(3H)-ONE
SpectraBase Compound ID EW1UEtQYgpk
InChI InChI=1S/C26H28O7/c1-14(2)6-7-15-18(27)12-19(28)21-23(15)32-13-26(30,24(21)29)17-8-9-20-16(22(17)31-5)10-11-25(3,4)33-20/h6,8-12,27-28,30H,7,13H2,1-5H3/t26-/m0/s1
InChIKey MDFLVDTWELDDFC-SANMLTNESA-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 LhxGJDLrbAV
Name PHYLLANONE-A;3,5,7-TRIHYDROXY-5'-METHOXY-2',3'-DIMETHYL-8-(3-METHYLBUT-2-ENYL)-[3,6'-BIS-2H-1-BENZOPYRAN]-4(3H)-ONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-14(2)6-7-15-18(27)12-19(28)21-23(15)32-13-26(30,24(21)29)17-8-9-20-16(22(17)31-5)10-11-25(3,4)33-20/h6,8-12,27-28,30H,7,13H2,1-5H3/t26-/m0/s1
InChIKey MDFLVDTWELDDFC-SANMLTNESA-N
Literature Reference Author G.B.RUSSELL
Literature Reference Citation AUSTR.J.CHEM.,50,333(1997)
Literature Reference DOI 10.1071/C96109
Molecular Weight 452.504 g/mol
Solvent CDCl3
Source File Reference UWCS15748