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#5;PSEUDOPENTAFUHALOL-B-TRIDECAACETATE;3,4,5-TRIACETOXY-1-[2,3-DIACETOXY-5-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-2-[3,5-DIACETOXY-4-(3,4,5-TRIACETOXYPHENOXY)-PHEN
SpectraBase Compound ID KZk9xNv3RU6
InChI InChI=1S/C56H48O30/c1-23(57)70-36-14-43(74-27(5)61)52(44(15-36)75-28(6)62)84-38-18-42(73-26(4)60)51(80-33(11)67)47(21-38)86-49-22-48(78-31(9)65)54(81-34(12)68)56(82-35(13)69)55(49)85-39-19-45(76-29(7)63)53(46(20-39)77-30(8)64)83-37-16-40(71-24(2)58)50(79-32(10)66)41(17-37)72-25(3)59/h14-22H,1-13H3
InChIKey APMXBGUCZBDZRJ-UHFFFAOYSA-N
Mol Weight 1201.0 g/mol
Molecular Formula C56H48O30
Exact Mass 1200.22304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E2eEEznIuK0
Name #5;PSEUDOPENTAFUHALOL-B-TRIDECAACETATE;3,4,5-TRIACETOXY-1-[2,3-DIACETOXY-5-(2,4,6-TRIACETOXYPHENOXY)-PHENOXY]-2-[3,5-DIACETOXY-4-(3,4,5-TRIACETOXYPHENOXY)-PHEN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H48O30
InChI InChI=1S/C56H48O30/c1-23(57)70-36-14-43(74-27(5)61)52(44(15-36)75-28(6)62)84-38-18-42(73-26(4)60)51(80-33(11)67)47(21-38)86-49-22-48(78-31(9)65)54(81-34(12)68)56(82-35(13)69)55(49)85-39-19-45(76-29(7)63)53(46(20-39)77-30(8)64)83-37-16-40(71-24(2)58)50(79-32(10)66)41(17-37)72-25(3)59/h14-22H,1-13H3
InChIKey APMXBGUCZBDZRJ-UHFFFAOYSA-N
Literature Reference Author M.KEUSGEN,K.W.GLOMBITZA
Literature Reference Citation PHYTOCHEM.,46,1403(1997)
Literature Reference DOI 10.1016/s0031-9422(97)00510-4
Molecular Weight 1200.979 g/mol
Sample ID 45692
Solvent CDCl3