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Aloin A
SpectraBase Compound ID G2Og9A3mjL2
InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13?,14?,17?,19?,20-,21-/m0/s1
InChIKey AFHJQYHRLPMKHU-KNPQEJCWSA-N
Mol Weight 418.4 g/mol
Molecular Formula C21H22O9
Exact Mass 418.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVS6DsfiX14
Name Aloin A
CAS Registry Number 20226-90-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22O9
InChI InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13?,14?,17?,19?,20-,21-/m0/s1
InChIKey AFHJQYHRLPMKHU-KNPQEJCWSA-N
Instrument Name Bruker WP-80
Literature Reference E. Graf, E. Breitmaier, Planta Medica 40, 197 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD