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CHIRITOSIDE-A
SpectraBase Compound ID 494D5t37Rzz
InChI InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(44-19)42-18-5-2-13(10-17(18)34)3-6-21(35)45-27-23(37)20(12-31)43-28(26(27)40)41-8-7-14-1-4-15(32)16(33)9-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
InChIKey PXALJEZISJBADA-BIMUYNONSA-N
Mol Weight 640.6 g/mol
Molecular Formula C29H36O16
Exact Mass 640.200335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnzSv4e7iL6
Name CHIRITOSIDE-A
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O16
InChI InChI=1S/C29H36O16/c30-11-19-22(36)24(38)25(39)29(44-19)42-18-5-2-13(10-17(18)34)3-6-21(35)45-27-23(37)20(12-31)43-28(26(27)40)41-8-7-14-1-4-15(32)16(33)9-14/h1-6,9-10,19-20,22-34,36-40H,7-8,11-12H2/b6-3+/t19-,20+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1
InChIKey PXALJEZISJBADA-BIMUYNONSA-N
Literature Reference Author S.DAMTOFT,S.R.JENSEN
Literature Reference Citation PHYTOCHEM.,37,441(1994)
Literature Reference DOI 10.1016/0031-9422(94)85075-5
Molecular Weight 640.595 g/mol
Solvent CD3OD
Source File Reference UWLU23118