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6-O-(2,3,4-O-ACETYLCINNAMOYL-PARA-METHOXYCINNAMOYL)-RHAMNOPYRANOSYL-CATALPOL
SpectraBase Compound ID Hf7AnKcHaVY
InChI InChI=1S/C42H48O18/c1-21-34(56-28(46)16-12-24-9-13-25(51-3)14-10-24)36(57-29(47)15-11-23-7-5-4-6-8-23)37(54-22(2)45)41(53-21)58-35-26-17-18-52-39(30(26)42(20-44)38(35)60-42)59-40-33(50)32(49)31(48)27(19-43)55-40/h4-18,21,26-27,30-41,43-44,48-50H,19-20H2,1-3H3/b15-11+,16-12+/t21-,26-,27+,30-,31+,32-,33+,34-,35+,36+,37+,38+,39+,40-,41-,42-/m1/s1
InChIKey FLAHDRJIGYMBNF-MKEXAPPSSA-N
Mol Weight 840.8 g/mol
Molecular Formula C42H48O18
Exact Mass 840.284065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Tt5fKVcCOO
Name 6-O-(2,3,4-O-ACETYLCINNAMOYL-PARA-METHOXYCINNAMOYL)-RHAMNOPYRANOSYL-CATALPOL
Compound Number 106
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O18
InChI InChI=1S/C42H48O18/c1-21-34(56-28(46)16-12-24-9-13-25(51-3)14-10-24)36(57-29(47)15-11-23-7-5-4-6-8-23)37(54-22(2)45)41(53-21)58-35-26-17-18-52-39(30(26)42(20-44)38(35)60-42)59-40-33(50)32(49)31(48)27(19-43)55-40/h4-18,21,26-27,30-41,43-44,48-50H,19-20H2,1-3H3/b15-11+,16-12+/t21-,26-,27+,30-,31+,32-,33+,34-,35+,36+,37+,38+,39+,40-,41-,42-/m1/s1
InChIKey FLAHDRJIGYMBNF-MKEXAPPSSA-N
Literature Reference Author C.A.BOROS,F.R.STERMITZ
Literature Reference Citation J.NAT.PROD.,53,1055(1990)
Literature Reference DOI 10.1021/np50071a001
Molecular Weight 840.832 g/mol
Solvent C5D5N
Source File Reference UWMZ16099