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MILLEWANIN_B;3-[5-(3,7-DIMETHYL-2,6-OCTADIENYL)-4-HYDROXY-3-METHOXY-2-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE

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

MILLEWANIN_B;3-[5-(3,7-DIMETHYL-2,6-OCTADIENYL)-4-HYDROXY-3-METHOXY-2-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
SpectraBase Compound ID 3IEZG8oFW8c
InChI InChI=1S/C31H36O6/c1-18(2)8-7-9-20(5)11-12-21-14-24(23(13-10-19(3)4)31(36-6)29(21)34)25-17-37-27-16-22(32)15-26(33)28(27)30(25)35/h8,10-11,14-17,32-34H,7,9,12-13H2,1-6H3/b20-11+
InChIKey UTABQRUZJVAFBL-RGVLZGJSSA-N
Mol Weight 504.6 g/mol
Molecular Formula C31H36O6
Exact Mass 504.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LK7TNLb2IOp
Name MILLEWANIN_B;3-[5-(3,7-DIMETHYL-2,6-OCTADIENYL)-4-HYDROXY-3-METHOXY-2-(3-METHYL-2-BUTENYL)-PHENYL]-5,7-DIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O6
InChI InChI=1S/C31H36O6/c1-18(2)8-7-9-20(5)11-12-21-14-24(23(13-10-19(3)4)31(36-6)29(21)34)25-17-37-27-16-22(32)15-26(33)28(27)30(25)35/h8,10-11,14-17,32-34H,7,9,12-13H2,1-6H3/b20-11+
InChIKey UTABQRUZJVAFBL-RGVLZGJSSA-N
Literature Reference Author C.ITO,M.ITOIGAWA,N.KOJIMA,H.TOKUDA,T.HIRATA,H.NISHINO,H.FURU KAWA
Literature Reference Citation J.NAT.PROD.,67,1125(2004)
Literature Reference DOI 10.1021/np030554q
Molecular Weight 504.623 g/mol
Solvent Unknown
Source File Reference UWMZ5556