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ISOCHROMOPHILONE-VIII;5-CHLORO-3-(3',5'-DIMETHYL-1',3'-HEPTADIENYL)-1,7,8,8A-TETRAHYDRO-7,8-DIHYDROXY-7-METHYL-8-ACETYL-6H-2-BENZOPYRAN-6-ONE

View entire compound with spectra: 1 NMR

ISOCHROMOPHILONE-VIII;5-CHLORO-3-(3',5'-DIMETHYL-1',3'-HEPTADIENYL)-1,7,8,8A-TETRAHYDRO-7,8-DIHYDROXY-7-METHYL-8-ACETYL-6H-2-BENZOPYRAN-6-ONE
SpectraBase Compound ID 8V6kJgjhQoe
InChI InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20-,21+/m1/s1
InChIKey MMOJJYPBNVVCGY-LYLCUPBQSA-N
Mol Weight 394.9 g/mol
Molecular Formula C21H27ClO5
Exact Mass 394.154702 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrEzIHt7unH
Name ISOCHROMOPHILONE-VIII;5-CHLORO-3-(3',5'-DIMETHYL-1',3'-HEPTADIENYL)-1,7,8,8A-TETRAHYDRO-7,8-DIHYDROXY-7-METHYL-8-ACETYL-6H-2-BENZOPYRAN-6-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27ClO5
InChI InChI=1S/C21H27ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-26-15)20(27-14(4)23)21(5,25)19(24)18(16)22/h7-10,12,17,20,25H,6,11H2,1-5H3/b8-7+,13-9+/t12?,17-,20-,21+/m1/s1
InChIKey MMOJJYPBNVVCGY-LYLCUPBQSA-N
Literature Reference Author D.J.YANG,H.TOMODA,N.TABATA,R.MASUMA,S.OMURA
Literature Reference Citation J.ANTIBIOTICS,49,223(1996)
Literature Reference DOI 10.7164/antibiotics.49.223
Molecular Weight 394.895 g/mol
Solvent CDCl3
Source File Reference UWCS23176