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XANTHORIN-8-O-BETA-D-GENTIOBIOSIDE-NONAACETATE;1,5-DIACETOXY-2-METHOXY-7-METHYL-4-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYR
SpectraBase Compound ID JdfFZHe2PzT
InChI InChI=1S/C46H50O25/c1-17-12-27-33(28(13-17)61-19(3)48)37(57)34-29(14-30(58-11)38(62-20(4)49)35(34)36(27)56)69-46-44(68-26(10)55)42(66-24(8)53)40(64-22(6)51)32(71-46)16-60-45-43(67-25(9)54)41(65-23(7)52)39(63-21(5)50)31(70-45)15-59-18(2)47/h12-14,31-32,39-46H,15-16H2,1-11H3/t31-,32+,39-,40+,41+,42-,43-,44+,45-,46+/m1/s1
InChIKey PAKPEJIPDQSCGL-KQBDFYDSSA-N
Mol Weight 1002.9 g/mol
Molecular Formula C46H50O25
Exact Mass 1002.264117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bp0KQ6kC1uJ
Name XANTHORIN-8-O-BETA-D-GENTIOBIOSIDE-NONAACETATE;1,5-DIACETOXY-2-METHOXY-7-METHYL-4-[[2,3,4-TRI-O-ACETYL-6-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYR
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H50O25
InChI InChI=1S/C46H50O25/c1-17-12-27-33(28(13-17)61-19(3)48)37(57)34-29(14-30(58-11)38(62-20(4)49)35(34)36(27)56)69-46-44(68-26(10)55)42(66-24(8)53)40(64-22(6)51)32(71-46)16-60-45-43(67-25(9)54)41(65-23(7)52)39(63-21(5)50)31(70-45)15-59-18(2)47/h12-14,31-32,39-46H,15-16H2,1-11H3/t31-,32+,39-,40+,41+,42-,43-,44+,45-,46+/m1/s1
InChIKey PAKPEJIPDQSCGL-KQBDFYDSSA-N
Literature Reference Author M.GILL,A.F.SMRDEL
Literature Reference Citation AUSTR.J.CHEM.,53,47(2000)
Literature Reference DOI 10.1071/CH99176
Molecular Weight 1002.888 g/mol
Solvent CDCl3
Source File Reference UWSI2846