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ALNUSIDE-C;(5S)-1,7-BIS-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-3-HEPTANONE-5-O-[2-(2-METHYLBUTENOYL)]-BETA-D-XYLOPYRANOSIDE
SpectraBase Compound ID 98IycetBUeD
InChI InChI=1S/C29H38O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h6-7,10-13,16,20,25-27,29,31-36H,3-5,8-9,14-15H2,1-2H3/t16?,20-,25+,26-,27+,29-/m0/s1
InChIKey DCXFPVCKNREVLL-IUEOUUKFSA-N
Mol Weight 562.6 g/mol
Molecular Formula C29H38O11
Exact Mass 562.241412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A9xfhJelGTV
Name ALNUSIDE-C;(5S)-1,7-BIS-(3,4-DIHYDROXYPHENYL)-5-HYDROXY-3-HEPTANONE-5-O-[2-(2-METHYLBUTENOYL)]-BETA-D-XYLOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O11
InChI InChI=1S/C29H38O11/c1-3-16(2)28(37)40-27-26(36)25(35)15-38-29(27)39-20(9-5-18-7-11-22(32)24(34)13-18)14-19(30)8-4-17-6-10-21(31)23(33)12-17/h6-7,10-13,16,20,25-27,29,31-36H,3-5,8-9,14-15H2,1-2H3/t16?,20-,25+,26-,27+,29-/m0/s1
InChIKey DCXFPVCKNREVLL-IUEOUUKFSA-N
Literature Reference Author M.KUROYANAGI,M.SHIMOMAE,Y.NAGASHIMA,N.MUTO,T.OKUDA,N.KAWAHAR A,T.NAKANE,T.SANO
Literature Reference Citation CHEM.PHARM.BULL.,53,1519(2005)
Literature Reference DOI 10.1248/cpb.53.1519
Molecular Weight 562.614 g/mol
Sample ID 54628
Solvent CD3OD