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ABACOPTERIN_I;(2-S,4-R)-6,8-DIMETHYL-4'-METHOXY-4,2''-OXIDOFLAVAN-5,7-DI-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID B6wNRj2mKtQ
InChI InChI=1S/C30H38O14/c1-11-25(43-29-24(37)22(35)20(33)17(9-31)41-29)12(2)27-19-16(40-28-23(36)21(34)18(10-32)42-30(28)44-27)8-15(39-26(11)19)13-4-6-14(38-3)7-5-13/h4-7,15-18,20-24,28-37H,8-10H2,1-3H3/t15-,16-,17-,18+,20-,21+,22+,23-,24-,28+,29+,30-/m0/s1
InChIKey ILHUDIBLZBKODZ-FRIAVSNXSA-N
Mol Weight 622.6 g/mol
Molecular Formula C30H38O14
Exact Mass 622.226156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Rjma0gRLue
Name ABACOPTERIN_I;(2-S,4-R)-6,8-DIMETHYL-4'-METHOXY-4,2''-OXIDOFLAVAN-5,7-DI-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O14
InChI InChI=1S/C30H38O14/c1-11-25(43-29-24(37)22(35)20(33)17(9-31)41-29)12(2)27-19-16(40-28-23(36)21(34)18(10-32)42-30(28)44-27)8-15(39-26(11)19)13-4-6-14(38-3)7-5-13/h4-7,15-18,20-24,28-37H,8-10H2,1-3H3/t15-,16-,17-,18+,20-,21+,22+,23-,24-,28+,29+,30-/m0/s1
InChIKey ILHUDIBLZBKODZ-FRIAVSNXSA-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 622.623 g/mol
Sample ID 31740
Solvent C5D5N