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6-O-ALPHA-L-(2''-O-,3''-O-DIBENZOYL,4''-O-TRANS-PARA-COUMAROYL)-RHAMNOPYRANOSYLCATALPOL
SpectraBase Compound ID D31U733ni60
InChI InChI=1S/C44H46O18/c1-22-34(57-29(48)17-14-23-12-15-26(47)16-13-23)36(58-39(52)24-8-4-2-5-9-24)37(59-40(53)25-10-6-3-7-11-25)43(55-22)60-35-27-18-19-54-41(30(27)44(21-46)38(35)62-44)61-42-33(51)32(50)31(49)28(20-45)56-42/h2-19,22,27-28,30-38,41-43,45-47,49-51H,20-21H2,1H3/b17-14+/t22-,27-,28+,30-,31+,32-,33+,34-,35+,36+,37+,38+,41+,42-,43-,44-/m1/s1
InChIKey XYYSXABRVICUPF-UULRIDDJSA-N
Mol Weight 862.8 g/mol
Molecular Formula C44H46O18
Exact Mass 862.268415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NfdpRRQ0Ky
Name 6-O-ALPHA-L-(2''-O-,3''-O-DIBENZOYL,4''-O-TRANS-PARA-COUMAROYL)-RHAMNOPYRANOSYLCATALPOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O18
InChI InChI=1S/C44H46O18/c1-22-34(57-29(48)17-14-23-12-15-26(47)16-13-23)36(58-39(52)24-8-4-2-5-9-24)37(59-40(53)25-10-6-3-7-11-25)43(55-22)60-35-27-18-19-54-41(30(27)44(21-46)38(35)62-44)61-42-33(51)32(50)31(49)28(20-45)56-42/h2-19,22,27-28,30-38,41-43,45-47,49-51H,20-21H2,1H3/b17-14+/t22-,27-,28+,30-,31+,32-,33+,34-,35+,36+,37+,38+,41+,42-,43-,44-/m1/s1
InChIKey XYYSXABRVICUPF-UULRIDDJSA-N
Literature Reference Author E.HELFRICH,H.RIMPLER
Literature Reference Citation PHYTOCHEM.,54,191(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00060-1
Molecular Weight 862.838 g/mol
Solvent CD3OD
Source File Reference UWLU1239