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EDGEWOROSIDE_B_TETRAACETATE

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EDGEWOROSIDE_B_TETRAACETATE
SpectraBase Compound ID 1HgKn5Ys5Vl
InChI InChI=1S/C40H30O17/c1-19(41)48-17-40(57-22(4)44)18-49-39(37(40)51-21(3)43)54-28-11-6-24-9-14-32(46)55-35(24)34(28)33-27(50-20(2)42)12-7-25-15-30(38(47)56-36(25)33)52-26-10-5-23-8-13-31(45)53-29(23)16-26/h5-16,37,39H,17-18H2,1-4H3/t37-,39-,40+/m0/s1
InChIKey YWJRKCPZCMVQJW-OLPJNUOYSA-N
Mol Weight 782.7 g/mol
Molecular Formula C40H30O17
Exact Mass 782.148299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 45g2UkpnXob
Name EDGEWOROSIDE_B_TETRAACETATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H30O17
InChI InChI=1S/C40H30O17/c1-19(41)48-17-40(57-22(4)44)18-49-39(37(40)51-21(3)43)54-28-11-6-24-9-14-32(46)55-35(24)34(28)33-27(50-20(2)42)12-7-25-15-30(38(47)56-36(25)33)52-26-10-5-23-8-13-31(45)53-29(23)16-26/h5-16,37,39H,17-18H2,1-4H3/t37-,39-,40+/m0/s1
InChIKey YWJRKCPZCMVQJW-OLPJNUOYSA-N
Literature Reference Author K.BABA,M.TANIGUTI,Y.YONEDA,M.KOZAWA
Literature Reference Citation PHYTOCHEM.,29,247(1990)
Literature Reference DOI 10.1016/0031-9422(90)89043-9
Molecular Weight 782.668 g/mol
Solvent CDCl3
Source File Reference UWMZ25553