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MONOCILLIN-II;TE=300

View entire compound with spectra: 1 NMR, and 1 MS (GC)

MONOCILLIN-II;TE=300
SpectraBase Compound ID B0U9DWWTUkx
InChI InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m0/s1
InChIKey AGKSYPMAQRUJJY-RLNIQIEQSA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMxKNBd4Tri
Name MONOCILLIN-II;TE=300
Compound Number 9
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5-6,8,10-12,20-21H,2,4,7,9H2,1H3/b5-3+,8-6+/t12-/m0/s1
InChIKey AGKSYPMAQRUJJY-RLNIQIEQSA-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 316.354 g/mol
Solvent DMSO-D6
Source File Reference UWSI7906