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PHLOROGLUCINOL-BETA-D-GLUCOSIDE_HEXABENZOATE

View entire compound with spectra: 1 NMR

PHLOROGLUCINOL-BETA-D-GLUCOSIDE_HEXABENZOATE
SpectraBase Compound ID GPcqmIkFmAR
InChI InChI=1S/C54H40O14/c55-48(35-19-7-1-8-20-35)61-34-44-45(66-51(58)38-25-13-4-14-26-38)46(67-52(59)39-27-15-5-16-28-39)47(68-53(60)40-29-17-6-18-30-40)54(65-44)64-43-32-41(62-49(56)36-21-9-2-10-22-36)31-42(33-43)63-50(57)37-23-11-3-12-24-37/h1-33,44-47,54H,34H2/t44-,45-,46+,47-,54-/m1/s1
InChIKey LZSNIMJPDCIILE-XXBYDXRMSA-N
Mol Weight 912.9 g/mol
Molecular Formula C54H40O14
Exact Mass 912.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JRZw7hGp4tZ
Name PHLOROGLUCINOL-BETA-D-GLUCOSIDE_HEXABENZOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H40O14
InChI InChI=1S/C54H40O14/c55-48(35-19-7-1-8-20-35)61-34-44-45(66-51(58)38-25-13-4-14-26-38)46(67-52(59)39-27-15-5-16-28-39)47(68-53(60)40-29-17-6-18-30-40)54(65-44)64-43-32-41(62-49(56)36-21-9-2-10-22-36)31-42(33-43)63-50(57)37-23-11-3-12-24-37/h1-33,44-47,54H,34H2/t44-,45-,46+,47-,54-/m1/s1
InChIKey LZSNIMJPDCIILE-XXBYDXRMSA-N
Literature Reference Author J.P.MICHAEL,N.E.MEIKLEHAM,G.W.PEROLD
Literature Reference Citation PLANTA.MED.,61,296(1995)
Literature Reference DOI 10.1055/s-2006-958086
Molecular Weight 912.903 g/mol
Solvent PYRIDINE-D5
Source File Reference UIAP706