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HEBITOL_II

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HEBITOL_II
SpectraBase Compound ID Dq0swISPSkV
InChI InChI=1S/C21H30O14/c22-6-12(25)16(28)17(29)13(26)7-34-21-20(32)19(31)18(30)14(35-21)8-33-15(27)4-2-9-1-3-10(23)11(24)5-9/h1-5,12-14,16-26,28-32H,6-8H2/b4-2+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m0/s1
InChIKey NKNIPRJKUBSJDO-PPZLMPBZSA-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 8uqeFbMwO9
Name HEBITOL_II
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O14
InChI InChI=1S/C21H30O14/c22-6-12(25)16(28)17(29)13(26)7-34-21-20(32)19(31)18(30)14(35-21)8-33-15(27)4-2-9-1-3-10(23)11(24)5-9/h1-5,12-14,16-26,28-32H,6-8H2/b4-2+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m0/s1
InChIKey NKNIPRJKUBSJDO-PPZLMPBZSA-N
Literature Reference Author R.M.TASKOVA,T.KOKUBUN,K.G.RYAN,P.J.GARNOCK-JONES,S.R.JENSEN
Literature Reference Citation J.NAT.PROD.,74,1477(2011)
Literature Reference DOI 10.1021/np200233p
Molecular Weight 506.461 g/mol
Sample ID 38487
Solvent CD3OD