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MONOCILLIN-III;TE=300
SpectraBase Compound ID 4lpi1L4Zq2h
InChI InChI=1S/C18H20O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3/b4-2+/t10-,15+,16+/m0/s1
InChIKey XFALPAMSDFFXGY-VNEQQNAQSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhidV13TmsX
Name MONOCILLIN-III;TE=300
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-10-6-16-15(24-16)5-3-2-4-12(19)7-11-8-13(20)9-14(21)17(11)18(22)23-10/h2,4,8-10,15-16,20-21H,3,5-7H2,1H3/b4-2+/t10-,15+,16+/m0/s1
InChIKey XFALPAMSDFFXGY-VNEQQNAQSA-N
Literature Reference Author V.HELLWIG,A.MAYER-BARTSCHMID,H.MUELLER,G.GREIF,G.KLEYMANN,W. ZITZMANN,H.V.TICHY,M
Literature Reference Citation J.NAT.PROD.,66,829(2003)
Literature Reference DOI 10.1021/np020556v
Molecular Weight 332.353 g/mol
Solvent DMSO-D6
Source File Reference UWSI7905