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BIJAPONICAXANTHONE;6-[1'',5'',6''-TRIHYDROXY-2'''-(ALPHA-HYDROXY-ALPHA-METHYLETHYL)-2''',3'''-DIHYDROFURAN-(5''',4''',3'',4'')-XANTHONE-3'''-OXYL]-3,4-(2',2'-
SpectraBase Compound ID JsUAuKBr6Da
InChI InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34+/m0/s1
InChIKey TVTKQGIMDPXDNX-SZAHLOSFSA-N
Mol Weight 668.6 g/mol
Molecular Formula C36H28O13
Exact Mass 668.152991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NEA6ZEWQhL
Name BIJAPONICAXANTHONE;6-[1'',5'',6''-TRIHYDROXY-2'''-(ALPHA-HYDROXY-ALPHA-METHYLETHYL)-2''',3'''-DIHYDROFURAN-(5''',4''',3'',4'')-XANTHONE-3'''-OXYL]-3,4-(2',2'-
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28O13
InChI InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34+/m0/s1
InChIKey TVTKQGIMDPXDNX-SZAHLOSFSA-N
Literature Reference Author Q.L.WU,S.P.WANG,L.J.DU,J.S.YANG,P.G.XIAO
Literature Reference Citation PHYTOCHEM.,49,1395(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00116-2
Molecular Weight 668.611 g/mol
Solvent DMSO-D6
Source File Reference UWLU566