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ALLOBETONICOSIDE;(1R,4AR,7AS)-4-[(BETA-D-ALLOPYRANOSYL)-OXY]-1-[(BETA-D-GLUCOPYRANOSYL)-OXY]-4A,6,7,7A-TETRAHYDRO-CYCLOPENTA-[C]-PYRAN-5(1H)-ONE

View entire compound with spectra: 1 NMR

ALLOBETONICOSIDE;(1R,4AR,7AS)-4-[(BETA-D-ALLOPYRANOSYL)-OXY]-1-[(BETA-D-GLUCOPYRANOSYL)-OXY]-4A,6,7,7A-TETRAHYDRO-CYCLOPENTA-[C]-PYRAN-5(1H)-ONE
SpectraBase Compound ID KmvvodQZlXs
InChI InChI=1S/C21H30O14/c1-7-4-10(24)21(35-20-17(30)15(28)13(26)9(6-23)33-20)2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)8(5-22)32-19/h2-4,8-9,11-20,22-23,25-30H,5-6H2,1H3/t8?,9?,11-,12?,13?,14?,15?,16?,17?,18-,19?,20?,21+/m1/s1
InChIKey VIEGIQFDBMKKSH-ACORFLBHSA-N
Mol Weight 506.46 g/mol
Molecular Formula C21H30O14
Exact Mass 506.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KyKOD7fPbI0
Name ALLOBETONICOSIDE;(1R,4AR,7AS)-4-[(BETA-D-ALLOPYRANOSYL)-OXY]-1-[(BETA-D-GLUCOPYRANOSYL)-OXY]-4A,6,7,7A-TETRAHYDRO-CYCLOPENTA-[C]-PYRAN-5(1H)-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O14
InChI InChI=1S/C21H30O14/c1-7-4-10(24)21(35-20-17(30)15(28)13(26)9(6-23)33-20)2-3-31-18(11(7)21)34-19-16(29)14(27)12(25)8(5-22)32-19/h2-4,8-9,11-20,22-23,25-30H,5-6H2,1H3/t8?,9?,11-,12?,13?,14?,15?,16?,17?,18-,19?,20?,21+/m1/s1
InChIKey VIEGIQFDBMKKSH-ACORFLBHSA-N
Literature Reference Author M.JEKER,O.STICHER,I.CAHS,P.RUEEDI
Literature Reference Citation HELV.CHIM.ACTA,72,1787(1989)
Literature Reference DOI 10.1002/hlca.19890720814
Molecular Weight 506.461 g/mol
Solvent D2O
Source File Reference UWED12026