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(5S,5aR,8aR,9R)-5-bromo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID Eoajmk3gdmC
InChI InChI=1S/C22H21BrO7/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1
InChIKey VNDCSULMOTZMNT-LGWHJFRWSA-N
Mol Weight 477.31 g/mol
Molecular Formula C22H21BrO7
Exact Mass 476.047066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5v6grL3Se33
Name (5S,5aR,8aR,9R)-5-bromo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H21BrO7
InChI InChI=1S/C22H21BrO7/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20H,8-9H2,1-3H3/t13-,18+,19-,20+/m0/s1
InChIKey VNDCSULMOTZMNT-LGWHJFRWSA-N
Literature Reference Author J.M.M.DELCORRAL,M.GORDALIZA,M.A.CASTRO,L.J.MORALES,J.L.LOPEZ ,A.S.FELICIANO
Literature Reference Citation J.NAT.PROD.,58,870(1995)
Literature Reference DOI 10.1021/np50120a008
Molecular Weight 477.309 g/mol
Solvent CDCl3
Source File Reference UWVP4092