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8-ALPHA-O-(4-ACETOXY-5-HYDROXYANGELOYL)-11-BETA,13-DIHYDROCNICIN
SpectraBase Compound ID 1XsZEsVv1oz
InChI InChI=1S/C22H30O8/c1-13-5-4-6-16(11-23)10-19-20(14(2)21(26)29-19)18(9-13)30-22(27)17(12-24)7-8-28-15(3)25/h5,7,10,14,18-20,23-24H,4,6,8-9,11-12H2,1-3H3/b13-5+,16-10-,17-7-/t14-,18-,19+,20+/m0/s1
InChIKey QVMJTYNTCBEZMJ-UZEIXXGISA-N
Mol Weight 422.47 g/mol
Molecular Formula C22H30O8
Exact Mass 422.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMyT9luedpt
Name 8-ALPHA-O-(4-ACETOXY-5-HYDROXYANGELOYL)-11-BETA,13-DIHYDROCNICIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O8
InChI InChI=1S/C22H30O8/c1-13-5-4-6-16(11-23)10-19-20(14(2)21(26)29-19)18(9-13)30-22(27)17(12-24)7-8-28-15(3)25/h5,7,10,14,18-20,23-24H,4,6,8-9,11-12H2,1-3H3/b13-5+,16-10-,17-7-/t14-,18-,19+,20+/m0/s1
InChIKey QVMJTYNTCBEZMJ-UZEIXXGISA-N
Literature Reference Author S.DJEDDI,A.KARIOTI,M.SOKOVIC,D.STOJKOVIC,R.SERIDI,H.SKALTSA
Literature Reference Citation J.NAT.PROD.,70,1796(2007)
Literature Reference DOI 10.1021/np070125i
Molecular Weight 422.475 g/mol
Sample ID 31074
Solvent CDCl3