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ABACOPTERIN_E;(2-S,4-S)-7,4'-DIHYDROXY-6,8-DIMETHYL-4,2''-OXIDOFLAVAN-5-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID ColtiqfsGLk
InChI InChI=1S/C23H26O9/c1-9-17(26)10(2)21-16-14(7-13(29-20(9)16)11-3-5-12(25)6-4-11)30-22-19(28)18(27)15(8-24)31-23(22)32-21/h3-6,13-15,18-19,22-28H,7-8H2,1-2H3/t13-,14-,15+,18+,19-,22+,23-/m0/s1
InChIKey IAQOOCVBIITHOV-USLXRMLJSA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l0BoUbTf1e
Name ABACOPTERIN_F;(2-S,4-R)-7,4'-DIHYDROXY-6,8-DIMETHYL-4,2''-OXIDOFLAVAN-5-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O9
InChI InChI=1S/C23H26O9/c1-9-17(26)10(2)21-16-14(7-13(29-20(9)16)11-3-5-12(25)6-4-11)30-22-19(28)18(27)15(8-24)31-23(22)32-21/h3-6,13-15,18-19,22-28H,7-8H2,1-2H3/t13-,14-,15+,18+,19-,22+,23-/m0/s1
InChIKey IAQOOCVBIITHOV-USLXRMLJSA-N
Literature Reference Author Z.ZHAO,J.JIN,J.RUAN,C.ZHU,C.LIN,W.FANG,Y.CAI
Literature Reference Citation J.NAT.PROD.,70,1683(2007)
Literature Reference DOI 10.1021/np0703850
Molecular Weight 446.454 g/mol
Sample ID 31737
Solvent C5D5N