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PLICATALOSIDE-OCTA-ACETATE;2,8-O,O-DI-(BETA-D-GLUCOPYRANOSYL)-OCTA-ACETATE-1,2,8-TRIHYDROXY-3-METHYLNAPHTHALENE
SpectraBase Compound ID C9nBlDmF1dy
InChI InChI=1S/C39H46O21/c1-16-13-25-11-10-12-26(57-38-36(55-23(8)46)34(53-21(6)44)32(51-19(4)42)27(58-38)14-49-17(2)40)29(25)30(48)31(16)60-39-37(56-24(9)47)35(54-22(7)45)33(52-20(5)43)28(59-39)15-50-18(3)41/h10-13,27-28,32-39,48H,14-15H2,1-9H3/t27-,28+,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1
InChIKey GMNRQYKUVPVDPJ-NMYJONSJSA-N
Mol Weight 850.8 g/mol
Molecular Formula C39H46O21
Exact Mass 850.253158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3xzWR5Xzd4
Name PLICATALOSIDE-OCTA-ACETATE;2,8-O,O-DI-(BETA-D-GLUCOPYRANOSYL)-OCTA-ACETATE-1,2,8-TRIHYDROXY-3-METHYLNAPHTHALENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H46O21
InChI InChI=1S/C39H46O21/c1-16-13-25-11-10-12-26(57-38-36(55-23(8)46)34(53-21(6)44)32(51-19(4)42)27(58-38)14-49-17(2)40)29(25)30(48)31(16)60-39-37(56-24(9)47)35(54-22(7)45)33(52-20(5)43)28(59-39)15-50-18(3)41/h10-13,27-28,32-39,48H,14-15H2,1-9H3/t27-,28+,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1
InChIKey GMNRQYKUVPVDPJ-NMYJONSJSA-N
Literature Reference Author P.L.WESSELS,C.W.HOLZAPFEL,B.E.V.WYK,W.MARAIS
Literature Reference Citation PHYTOCHEM.,41,1547(1996)
Literature Reference DOI 10.1016/0031-9422(95)00744-X
Molecular Weight 850.782 g/mol
Solvent CDCl3
Source File Reference UWLU4456