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3-METHOXY-5-(2'-PROPENYL)-1,2-BENZENEDIOL-1-YL-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID KQcaeDz5zL8
InChI InChI=1S/C21H30O12/c1-3-4-10-5-11(29-2)14(23)12(6-10)32-19-17(26)16(25)15(24)13(33-19)7-30-20-18(27)21(28,8-22)9-31-20/h3,5-6,13,15-20,22-28H,1,4,7-9H2,2H3/t13-,15-,16+,17-,18+,19-,20-,21-/m0/s1
InChIKey ZTGXAUYTWLORRH-BEFGJGKUSA-N
Mol Weight 474.46 g/mol
Molecular Formula C21H30O12
Exact Mass 474.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw6xLaB81Xr
Name 3-METHOXY-5-(2'-PROPENYL)-1,2-BENZENEDIOL-1-YL-BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O12
InChI InChI=1S/C21H30O12/c1-3-4-10-5-11(29-2)14(23)12(6-10)32-19-17(26)16(25)15(24)13(33-19)7-30-20-18(27)21(28,8-22)9-31-20/h3,5-6,13,15-20,22-28H,1,4,7-9H2,2H3/t13-,15-,16+,17-,18+,19-,20-,21-/m0/s1
InChIKey ZTGXAUYTWLORRH-BEFGJGKUSA-N
Literature Reference Author K.YOSHIKAWA,K.EIKO,N.MIMURA,Y.KONDO,S.ARIHARA
Literature Reference Citation J.NAT.PROD.,61,786(1998)
Literature Reference DOI 10.1021/np9800396
Molecular Weight 474.462 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCP372