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#8;(2R,2'R,3R,3'R)-7,7'-[(1,4-PHENYLENE-BIS-(METHYLENE)]-BIS-(OXY)]-BIIS-(3,5-DIHYDROXY-2-[(2R,3R)-3-(4-HYDROXY-3-METHOXYPHENYL)-2-(HYDROXYMETHYL)-2,3-D
SpectraBase Compound ID 383nScYmBfm
InChI InChI=1S/C58H50O20/c1-69-41-15-29(7-11-35(41)61)55-47(23-59)73-39-13-9-31(17-43(39)75-55)57-53(67)51(65)49-37(63)19-33(21-45(49)77-57)71-25-27-3-5-28(6-4-27)26-72-34-20-38(64)50-46(22-34)78-58(54(68)52(50)66)32-10-14-40-44(18-32)76-56(48(24-60)74-40)30-8-12-36(62)42(16-30)70-2/h3-22,47-48,53-64,67-68H,23-26H2,1-2H3/t47?,48?,53-,54-,55?,56?,57+,58+/m0/s1
InChIKey TUFXFTNLIFHCNH-BSSAEBKZSA-N
Mol Weight 1067.0 g/mol
Molecular Formula C58H50O20
Exact Mass 1066.289544 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AipNtrYkqZ3
Name #8;(2R,2'R,3R,3'R)-7,7'-[(1,4-PHENYLENE-BIS-(METHYLENE)]-BIS-(OXY)]-BIIS-(3,5-DIHYDROXY-2-[(2R,3R)-3-(4-HYDROXY-3-METHOXYPHENYL)-2-(HYDROXYMETHYL)-2,3-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H50O20
InChI InChI=1S/C58H50O20/c1-69-41-15-29(7-11-35(41)61)55-47(23-59)73-39-13-9-31(17-43(39)75-55)57-53(67)51(65)49-37(63)19-33(21-45(49)77-57)71-25-27-3-5-28(6-4-27)26-72-34-20-38(64)50-46(22-34)78-58(54(68)52(50)66)32-10-14-40-44(18-32)76-56(48(24-60)74-40)30-8-12-36(62)42(16-30)70-2/h3-22,47-48,53-64,67-68H,23-26H2,1-2H3/t47?,48?,53-,54-,55?,56?,57+,58+/m0/s1
InChIKey TUFXFTNLIFHCNH-BSSAEBKZSA-N
Literature Reference Author E.VAVRIKOVA,J.VACEK,K.VALENTOVA,P.MARHOL,J.ULRICHIVA,M.KUZMA ,V.KREN
Literature Reference Citation MOLECULES,19,4115(2014)
Literature Reference DOI 10.3390/molecules19044115
Molecular Weight 1067.023 g/mol
Solvent DMSO-D6
Source File Reference UWBT14623