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[(6R,7R,8R)-6-methylol-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-7-yl]methanol
SpectraBase Compound ID 1nPAuAavpfO
InChI InChI=1S/C22H26O7/c1-25-19-6-13(7-20(26-2)22(19)27-3)21-15-8-18-17(28-11-29-18)5-12(15)4-14(9-23)16(21)10-24/h5-8,14,16,21,23-24H,4,9-11H2,1-3H3/t14-,16-,21+/m0/s1
InChIKey JVSYCTMODBCSAF-WDUKFBBWSA-N
Mol Weight 402.44 g/mol
Molecular Formula C22H26O7
Exact Mass 402.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FtJfvlBepz5
Name [(6R,7R,8R)-6-methylol-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-7-yl]methanol
Compound Number 65
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26O7
InChI InChI=1S/C22H26O7/c1-25-19-6-13(7-20(26-2)22(19)27-3)21-15-8-18-17(28-11-29-18)5-12(15)4-14(9-23)16(21)10-24/h5-8,14,16,21,23-24H,4,9-11H2,1-3H3/t14-,16-,21+/m0/s1
InChIKey JVSYCTMODBCSAF-WDUKFBBWSA-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 402.444 g/mol
Solvent CDCl3
Source File Reference UWPR113