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2-ALPHA,7-ALPHA,8-BETA-TRIHYDROXYKESSANE-2-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 98GBprvDtJ0
InChI InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15+,16-,17+,18+,20+,21+/m1/s1
InChIKey SPYAOTULQPJFGN-XBOJPXMNSA-N
Mol Weight 432.5 g/mol
Molecular Formula C21H36O9
Exact Mass 432.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Le5GZSDJRhx
Name 2-ALPHA,7-ALPHA,8-BETA-TRIHYDROXYKESSANE-2-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O9
InChI InChI=1S/C21H36O9/c1-9-5-11(28-18-17(26)16(25)15(24)12(8-22)29-18)14-10(9)6-21(27)13(23)7-20(14,4)30-19(21,2)3/h9-18,22-27H,5-8H2,1-4H3/t9-,10-,11+,12+,13-,14-,15+,16-,17+,18+,20+,21+/m1/s1
InChIKey SPYAOTULQPJFGN-XBOJPXMNSA-N
Literature Reference Author J.KITAJIMA,N.SUZUKI,Y.TANAKA
Literature Reference Citation CHEM.PHARM.BULL.,46,1743(1998)
Literature Reference DOI 10.1248/cpb.46.1743
Molecular Weight 432.511 g/mol
Solvent CDCl3
Source File Reference UWMS20807