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GNETIN-E-PERACETYLATED

View entire compound with spectra: 1 NMR

GNETIN-E-PERACETYLATED
SpectraBase Compound ID A6vY5fodJjO
InChI InChI=1S/C56H46O16/c1-29(57)64-42-16-10-36(11-17-42)8-9-37-22-47(69-34(6)62)53-48(23-37)71-56(39-14-20-44(21-15-39)66-31(3)59)52(53)41-26-49(70-35(7)63)54-50(27-41)72-55(38-12-18-43(19-13-38)65-30(2)58)51(54)40-24-45(67-32(4)60)28-46(25-40)68-33(5)61/h8-28,51-52,55-56H,1-7H3/b9-8+/t51-,52-,55+,56+/m1/s1
InChIKey FLSSWKKZZRCFIG-ZLTUGRCZSA-N
Mol Weight 975.0 g/mol
Molecular Formula C56H46O16
Exact Mass 974.278585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MaygEmBZ7C
Name GNETIN-E-PERACETYLATED
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H46O16
InChI InChI=1S/C56H46O16/c1-29(57)64-42-16-10-36(11-17-42)8-9-37-22-47(69-34(6)62)53-48(23-37)71-56(39-14-20-44(21-15-39)66-31(3)59)52(53)41-26-49(70-35(7)63)54-50(27-41)72-55(38-12-18-43(19-13-38)65-30(2)58)51(54)40-24-45(67-32(4)60)28-46(25-40)68-33(5)61/h8-28,51-52,55-56H,1-7H3/b9-8+/t51-,52-,55+,56+/m1/s1
InChIKey FLSSWKKZZRCFIG-ZLTUGRCZSA-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 974.972 g/mol
Solvent CDCl3
Source File Reference UWLU20685