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GNETIN-K-PERACETYLATED

View entire compound with spectra: 1 NMR

GNETIN-K-PERACETYLATED
SpectraBase Compound ID BYrqlybB6ua
InChI InChI=1S/C57H48O17/c1-29(58)66-42-16-11-36(12-17-42)9-10-37-21-48(71-34(6)63)54-49(22-37)73-56(38-13-18-43(19-14-38)67-30(2)59)53(54)41-26-50(72-35(7)64)55-51(27-41)74-57(39-15-20-46(70-33(5)62)47(25-39)65-8)52(55)40-23-44(68-31(3)60)28-45(24-40)69-32(4)61/h9-28,52-53,56-57H,1-8H3/b10-9+/t52-,53-,56+,57+/m1/s1
InChIKey XEPXWNNDFPFNOQ-ZXUGXYLMSA-N
Mol Weight 1005.0 g/mol
Molecular Formula C57H48O17
Exact Mass 1004.28915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J916ffadbEj
Name GNETIN-K-PERACETYLATED
Compound Number 3F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H48O17
InChI InChI=1S/C57H48O17/c1-29(58)66-42-16-11-36(12-17-42)9-10-37-21-48(71-34(6)63)54-49(22-37)73-56(38-13-18-43(19-14-38)67-30(2)59)53(54)41-26-50(72-35(7)64)55-51(27-41)74-57(39-15-20-46(70-33(5)62)47(25-39)65-8)52(55)40-23-44(68-31(3)60)28-45(24-40)69-32(4)61/h9-28,52-53,56-57H,1-8H3/b10-9+/t52-,53-,56+,57+/m1/s1
InChIKey XEPXWNNDFPFNOQ-ZXUGXYLMSA-N
Literature Reference Author N.BORALLE,H.E.GOTTLIEB,O.R.GOTTLIEB,K.KUBITZKI,L.M.X.LOPES,M .YOSHIDA,M.C.M.YOUNG
Literature Reference Citation PHYTOCHEM.,34,1403(1993)
Literature Reference DOI 10.1016/0031-9422(91)80038-3
Molecular Weight 1004.998 g/mol
Solvent CDCl3
Source File Reference UWLU20687