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JASLANCEOSIDE_B_PENTAACETATE
SpectraBase Compound ID Ah03WuYR7Cl
InChI InChI=1S/C36H40O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-25(26(15-30(43)46-6)27(16-49-35)34(44)45)13-14-47-29(42)12-9-23-7-10-24(11-8-23)50-19(2)38/h7-13,16,26,28,31-33,35-36H,14-15,17H2,1-6H3,(H,44,45)/b12-9+,25-13+/t26-,28+,31+,32-,33+,35-,36-/m0/s1
InChIKey KNXZUDKASSQIJN-HQTXQIFMSA-N
Mol Weight 776.7 g/mol
Molecular Formula C36H40O19
Exact Mass 776.216379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSYjFzIF33A
Name JASLANCEOSIDE_B_PENTAACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O19
InChI InChI=1S/C36H40O19/c1-18(37)48-17-28-31(51-20(3)39)32(52-21(4)40)33(53-22(5)41)36(54-28)55-35-25(26(15-30(43)46-6)27(16-49-35)34(44)45)13-14-47-29(42)12-9-23-7-10-24(11-8-23)50-19(2)38/h7-13,16,26,28,31-33,35-36H,14-15,17H2,1-6H3,(H,44,45)/b12-9+,25-13+/t26-,28+,31+,32-,33+,35-,36-/m0/s1
InChIKey KNXZUDKASSQIJN-HQTXQIFMSA-N
Literature Reference Author Y.-C.SHEN,S.-L.LIN
Literature Reference Citation PLANTA.MED.,62,515(1996)
Literature Reference DOI 10.1055/s-2006-957960
Molecular Weight 776.702 g/mol
Solvent CDCl3
Source File Reference UIAP866