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#6;PHENYL-2,3,4-TRI-O-BENZOYL-1-THIO-6-O-[2,3,4-TRI-O-BENZOYL-6-O-BIS-(2,2,2-TRICHLOROETHOXY)-PHOSPHORYL-ALPHA-D-MANNOPYRANOSYL]-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID Fr0XTcbAZrZ
InChI InChI=1S/C64H53Cl6O19PS/c65-63(66,67)38-80-90(77,81-39-64(68,69)70)79-37-48-50(85-56(72)41-24-10-2-11-25-41)51(86-57(73)42-26-12-3-13-27-42)53(88-59(75)44-30-16-5-17-31-44)61(82-48)78-36-47-49(84-55(71)40-22-8-1-9-23-40)52(87-58(74)43-28-14-4-15-29-43)54(89-60(76)45-32-18-6-19-33-45)62(83-47)91-46-34-20-7-21-35-46/h1-35,47-54,61-62H,36-39H2/t47-,48+,49-,50+,51-,52+,53-,54+,61-,62-/m1/s1
InChIKey XGFKOZOTBWVPCU-KPSVUFTRSA-N
Mol Weight 1401.9 g/mol
Molecular Formula C64H53Cl6O19PS
Exact Mass 1398.077054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzxMTZZ5w8W
Name #6;PHENYL-2,3,4-TRI-O-BENZOYL-1-THIO-6-O-[2,3,4-TRI-O-BENZOYL-6-O-BIS-(2,2,2-TRICHLOROETHOXY)-PHOSPHORYL-ALPHA-D-MANNOPYRANOSYL]-ALPHA-D-MANNOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C64H53Cl6O19PS
InChI InChI=1S/C64H53Cl6O19PS/c65-63(66,67)38-80-90(77,81-39-64(68,69)70)79-37-48-50(85-56(72)41-24-10-2-11-25-41)51(86-57(73)42-26-12-3-13-27-42)53(88-59(75)44-30-16-5-17-31-44)61(82-48)78-36-47-49(84-55(71)40-22-8-1-9-23-40)52(87-58(74)43-28-14-4-15-29-43)54(89-60(76)45-32-18-6-19-33-45)62(83-47)91-46-34-20-7-21-35-46/h1-35,47-54,61-62H,36-39H2/t47-,48+,49-,50+,51-,52+,53-,54+,61-,62-/m1/s1
InChIKey XGFKOZOTBWVPCU-KPSVUFTRSA-N
Literature Reference Author M.K.CHRISTENSEN,M.MELDAL,K.BOCK
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1453(1993)
Literature Reference DOI 10.1039/p19930001453
Molecular Weight 1401.865 g/mol
Solvent CDCl3
Source File Reference UWCP6263