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PATRINOSIDE-AGLYCONE-11-O-[4''-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-RIBOHEXO-3-ULOPYRANOSIDE]
SpectraBase Compound ID CHF3qyqjnzC
InChI InChI=1S/C29H44O16/c1-11(2)5-19(34)44-27-20-15(6-17(33)16(20)7-30)14(9-39-27)10-40-29-26(22(36)21(35)18(8-31)43-29)45-28-24(38)23(37)25(12(3)41-28)42-13(4)32/h9,11-12,15-18,20-21,23-31,33,35,37-38H,5-8,10H2,1-4H3/t12-,15-,16+,17+,18+,20+,21+,23-,24+,25-,26+,27+,28-,29+/m1/s1
InChIKey HXIVYBYRGASIGM-KNLDUUKMSA-N
Mol Weight 648.7 g/mol
Molecular Formula C29H44O16
Exact Mass 648.262935 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DquJAnaPOfC
Name PATRIONOSIDE-AGLYCONE-11-O-[4''-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-RIBOHEXO-3-ULOPYRANOSIDE]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O16
InChI InChI=1S/C29H44O16/c1-11(2)5-19(34)44-27-20-15(6-17(33)16(20)7-30)14(9-39-27)10-40-29-26(22(36)21(35)18(8-31)43-29)45-28-24(38)23(37)25(12(3)41-28)42-13(4)32/h9,11-12,15-18,20-21,23-31,33,35,37-38H,5-8,10H2,1-4H3/t12-,15-,16+,17+,18+,20+,21+,23-,24+,25-,26+,27+,28-,29+/m1/s1
InChIKey HXIVYBYRGASIGM-KNLDUUKMSA-N
Literature Reference Author V.PIERI,S.SCHWAIGER,E.P.ELLMERER,H.STUPPNER
Literature Reference Citation J.NAT.PROD.,72,1798(2009)
Literature Reference DOI 10.1021/np900373u
Molecular Weight 648.659 g/mol
Sample ID 33681
Solvent C5D5N