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6-O-(2''-ISOFERULOYLRHAMNOPYRANOSYL)-CATALPOL
SpectraBase Compound ID D5TTkLfoLOu
InChI InChI=1S/C31H40O17/c1-12-20(36)23(39)26(45-18(35)6-4-13-3-5-16(41-2)15(34)9-13)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-24(40)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14-,17+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-/m1/s1
InChIKey LUCUVVSDSLWPMZ-JFKITHKRSA-N
Mol Weight 684.6 g/mol
Molecular Formula C31H40O17
Exact Mass 684.22655 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxNrdyJSQCX
Name 6-O-(2''-ISOFERULOYLRHAMNOPYRANOSYL)-CATALPOL
Compound Number 96
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40O17
InChI InChI=1S/C31H40O17/c1-12-20(36)23(39)26(45-18(35)6-4-13-3-5-16(41-2)15(34)9-13)30(43-12)46-25-14-7-8-42-28(19(14)31(11-33)27(25)48-31)47-29-24(40)22(38)21(37)17(10-32)44-29/h3-9,12,14,17,19-30,32-34,36-40H,10-11H2,1-2H3/b6-4+/t12-,14-,17+,19-,20-,21+,22-,23+,24+,25+,26+,27+,28+,29-,30-,31-/m1/s1
InChIKey LUCUVVSDSLWPMZ-JFKITHKRSA-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 684.648 g/mol
Solvent CD3OD
Source File Reference UWMZ16089