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(5S,5aR,8aR,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
SpectraBase Compound ID BRNoGAlNuR
InChI InChI=1S/C24H26O8/c1-5-29-22-14-9-17-16(31-11-32-17)8-13(14)20(21-15(22)10-30-24(21)25)12-6-18(26-2)23(28-4)19(7-12)27-3/h6-9,15,20-22H,5,10-11H2,1-4H3/t15-,20+,21-,22+/m0/s1
InChIKey STGBBEULPHACPI-QWIYEXKTSA-N
Mol Weight 442.46 g/mol
Molecular Formula C24H26O8
Exact Mass 442.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHhWEfTypOi
Name (5S,5aR,8aR,9R)-5-ethoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H26O8
InChI InChI=1S/C24H26O8/c1-5-29-22-14-9-17-16(31-11-32-17)8-13(14)20(21-15(22)10-30-24(21)25)12-6-18(26-2)23(28-4)19(7-12)27-3/h6-9,15,20-22H,5,10-11H2,1-4H3/t15-,20+,21-,22+/m0/s1
InChIKey STGBBEULPHACPI-QWIYEXKTSA-N
Literature Reference Author A.SANFELICIANO,J.M.M.DELCORRAL,M.GORDALIZA,M.A.CASTRO
Literature Reference Citation MAGN.RES.CHEM.,31,868(1993)
Literature Reference DOI 10.1002/mrc.1260310915
Molecular Weight 442.466 g/mol
Solvent CDCl3
Source File Reference UWPR78