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ABACOPTERIN_A;(2-S,4-S)-6,8-DIMETHYL-7-HYDROXY-4'-METHOXY-4,2''-OXIDOFLAVAN-5-O-BETA-D-6-ACETYL-GLUCOPYRANOSIDE
SpectraBase Compound ID J5d50b9c287
InChI InChI=1S/C26H30O10/c1-11-20(28)12(2)24-19-17(9-16(33-23(11)19)14-5-7-15(31-4)8-6-14)34-25-22(30)21(29)18(10-32-13(3)27)35-26(25)36-24/h5-8,16-18,21-22,25-26,28-30H,9-10H2,1-4H3/t16-,17-,18+,21+,22-,25+,26-/m1/s1
InChIKey IFELYQDGJJZHIW-KSSLUIQKSA-N
Mol Weight 502.52 g/mol
Molecular Formula C26H30O10
Exact Mass 502.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRj0tOOe9T1
Name ABACOPTERIN_A;(2-S,4-S)-6,8-DIMETHYL-7-HYDROXY-4'-METHOXY-4,2''-OXIDOFLAVAN-5-O-BETA-D-6-ACETYL-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H30O10
InChI InChI=1S/C26H30O10/c1-11-20(28)12(2)24-19-17(9-16(33-23(11)19)14-5-7-15(31-4)8-6-14)34-25-22(30)21(29)18(10-32-13(3)27)35-26(25)36-24/h5-8,16-18,21-22,25-26,28-30H,9-10H2,1-4H3/t16-,17-,18+,21+,22-,25+,26-/m1/s1
InChIKey IFELYQDGJJZHIW-KSSLUIQKSA-N
Literature Reference Author Z.ZHAO,J.RUAN,J.JIN,J.ZOU,D.ZHOU,W.FANG,F.ZENG
Literature Reference Citation J.NAT.PROD.,69,265(2006)
Literature Reference DOI 10.1021/np050191p
Molecular Weight 502.518 g/mol
Solvent ACETONE-D6
Source File Reference UWMZ16988