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GRACILIN_K

View entire compound with spectra: 1 NMR

GRACILIN_K
SpectraBase Compound ID A8MExR2E5Xn
InChI InChI=1S/C21H28O8/c1-10(22)25-16-15-14-13(8-12-6-5-7-21(3,4)9-12)17(24)27-18(14)28-19(15)29-20(16)26-11(2)23/h8,12,14-16,18-20H,5-7,9H2,1-4H3/b13-8-/t12?,14-,15-,16-,18+,19+,20-/m0/s1
InChIKey GOSUIVNRFQNSRC-QBTHFRSLSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uidoBlv8GC
Name GRACILIN_K
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-10(22)25-16-15-14-13(8-12-6-5-7-21(3,4)9-12)17(24)27-18(14)28-19(15)29-20(16)26-11(2)23/h8,12,14-16,18-20H,5-7,9H2,1-4H3/b13-8-/t12?,14-,15-,16-,18+,19+,20-/m0/s1
InChIKey GOSUIVNRFQNSRC-QBTHFRSLSA-N
Literature Reference Author M.E.RATEB,W.E.HOUSSEN,M.SCHUMACHER,W.T.A.HARRISON,M.DIEDERIC H,R.EBEL,M.JASPARS
Literature Reference Citation J.NAT.PROD.,72,1471(2009)
Literature Reference DOI 10.1021/np900233c
Molecular Weight 408.449 g/mol
Sample ID 33372
Solvent CDCl3