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ECHINATINE;(2S,3R)-[(1S,7AR)-1-HYDROXY-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL]-METHYL-2,3-DIHYDROXY-2-ISOPROPYLBUTANOATE
SpectraBase Compound ID Eovq6oaUhW2
InChI InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
InChIKey SFVVQRJOGUKCEG-DNVSUFBTSA-N
Mol Weight 299.37 g/mol
Molecular Formula C15H25NO5
Exact Mass 299.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LbGo5b8ZHQy
Name ECHINATINE;(2S,3R)-[(1S,7AR)-1-HYDROXY-2,3,5,7A-TETRAHYDRO-1H-PYRROLIZIN-7-YL]-METHYL-2,3-DIHYDROXY-2-ISOPROPYLBUTANOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25NO5
InChI InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
InChIKey SFVVQRJOGUKCEG-DNVSUFBTSA-N
Literature Reference Author B.M.MANDIC,M.R.SIMIC,I.M.VUCKOVIC,L.V.VUJISIC,M.M.NOVAKOVIC, S.S.TRIFUNOVIC
Literature Reference Citation MOLECULES,18,10694(2013)
Literature Reference DOI 10.3390/molecules180910694
Molecular Weight 299.367 g/mol
Solvent CDCl3
Source File Reference UWIR9351