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ABACOPTERIN_D;(2-S,4-R)-4-HYDROXY-4'-METHOXY-8-METHYL-11,2'''-OXIDOFLAVAN-5,7-DI-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID AMFVJowirrB
InChI InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1
InChIKey BNUJOMJNLGIKGM-HLDXYIHRSA-N
Mol Weight 638.6 g/mol
Molecular Formula C30H38O15
Exact Mass 638.221071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fi0bfiH5AF
Name ABACOPTERIN_D;(2-S,4-R)-4-HYDROXY-4'-METHOXY-8-METHYL-11,2'''-OXIDOFLAVAN-5,7-DI-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H38O15
InChI InChI=1S/C30H38O15/c1-11-25-14(10-40-28-23(37)21(35)18(9-32)43-30(28)44-25)27(45-29-24(38)22(36)20(34)17(8-31)42-29)19-15(33)7-16(41-26(11)19)12-3-5-13(39-2)6-4-12/h3-6,15-18,20-24,28-38H,7-10H2,1-2H3/t15-,16+,17-,18-,20-,21-,22+,23+,24-,28-,29+,30+/m1/s1
InChIKey BNUJOMJNLGIKGM-HLDXYIHRSA-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 638.623 g/mol
Solvent DMSO-D6
Source File Reference UWMZ16991