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#3;HOPEASIDE-C;1-[(1S,2S)-1-HYDROXY-2-(4-HYDROXY-PHENYL)-2-[(2R,3R)-3-(3,5-DIHYDROXY-PHENYL)-2,3-DIHYDRO-6-HYDROXY-4-[(1E)-2-(4-HYDROXY-PHENYL)-ETHENYL]-2-(4-H
SpectraBase Compound ID EhAw8ztIIV
InChI InChI=1S/C48H44O15/c49-21-37-44(59)45(60)46(61)48(63-37)41-33(18-31(55)19-34(41)56)43(58)38(23-4-10-27(51)11-5-23)40-32(14-3-22-1-8-26(50)9-2-22)42-36(20-35(40)57)62-47(24-6-12-28(52)13-7-24)39(42)25-15-29(53)17-30(54)16-25/h1-20,37-39,43-61H,21H2/b14-3+/t37-,38-,39+,43+,44-,45+,46-,47-,48+/m0/s1
InChIKey PKDHDJWDFKGODJ-XKERXXGCSA-N
Mol Weight 860.9 g/mol
Molecular Formula C48H44O15
Exact Mass 860.268021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AZTtMJjSVwJ
Name #3;HOPEASIDE-C;1-[(1S,2S)-1-HYDROXY-2-(4-HYDROXY-PHENYL)-2-[(2R,3R)-3-(3,5-DIHYDROXY-PHENYL)-2,3-DIHYDRO-6-HYDROXY-4-[(1E)-2-(4-HYDROXY-PHENYL)-ETHENYL]-2-(4-H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H44O15
InChI InChI=1S/C48H44O15/c49-21-37-44(59)45(60)46(61)48(63-37)41-33(18-31(55)19-34(41)56)43(58)38(23-4-10-27(51)11-5-23)40-32(14-3-22-1-8-26(50)9-2-22)42-36(20-35(40)57)62-47(24-6-12-28(52)13-7-24)39(42)25-15-29(53)17-30(54)16-25/h1-20,37-39,43-61H,21H2/b14-3+/t37-,38-,39+,43+,44-,45+,46-,47-,48+/m0/s1
InChIKey PKDHDJWDFKGODJ-XKERXXGCSA-N
Literature Reference Author N.ABE,T.ITO,M.OYAMA,R.SAWA,Y.TAKAHASHI,V.CHELLADURAI,M.IINUM A
Literature Reference Citation CHEM.PHARM.BULL.,59,239(2011)
Literature Reference DOI 10.1248/cpb.59.239
Molecular Weight 860.868 g/mol
Sample ID 2691
Solvent ACETONE-D6