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ISO-GTX-II;3-BETA,5-BETA,6-BETA,14-BETA,16-ALPHA-PENTAHYDROXY-GRAYANOTOXA-9-EN
SpectraBase Compound ID 7z8SoMvtv6z
InChI InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16+,18-,19+,20+/m1/s1
InChIKey LLNZGRNLXLQFAC-HXBGQOBPSA-N
Mol Weight 352.5 g/mol
Molecular Formula C20H32O5
Exact Mass 352.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4FqRp7TnKtq
Name ISO-GTX-II;3-BETA,5-BETA,6-BETA,14-BETA,16-ALPHA-PENTAHYDROXY-GRAYANOTOXA-9-EN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32O5
InChI InChI=1S/C20H32O5/c1-10-11-5-6-12-16(23)19(11,9-18(12,4)24)8-15(22)20(25)13(10)7-14(21)17(20,2)3/h12-16,21-25H,5-9H2,1-4H3/t12-,13+,14+,15-,16+,18-,19+,20+/m1/s1
InChIKey LLNZGRNLXLQFAC-HXBGQOBPSA-N
Literature Reference Author T.TERAI,D.ARAHO,K.OSAKABE,M.KATAI,I.NARAMA,T.MATSUURA,J.KATA KAWA,T.TETSUMI,M.SAT
Literature Reference Citation CHEM.PHARM.BULL.,48,142(2000)
Literature Reference DOI 10.1248/cpb.48.142
Molecular Weight 352.471 g/mol
Solvent C5D5N
Source File Reference UWLU4850