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3-ACETOXY-5-[(E)-2-FORMYLETHEN-1-YL]-2-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-2,3-DIHYDROBENZOFURAN
SpectraBase Compound ID 2r0hgzAozuV
InChI InChI=1S/C22H22O7/c1-13(24)28-12-17-16-9-14(5-4-8-23)10-20(27-3)22(16)29-21(17)15-6-7-18(25)19(11-15)26-2/h4-11,17,21,25H,12H2,1-3H3/b5-4+/t17-,21+/m1/s1
InChIKey RATHWHQMVNHBER-FLWKIERCSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5UqBbRsQTEC
Name 3-ACETOXY-5-[(E)-2-FORMYLETHEN-1-YL]-2-(4-HYDROXY-3-METHOXYPHENYL)-7-METHOXY-2,3-DIHYDROBENZOFURAN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-13(24)28-12-17-16-9-14(5-4-8-23)10-20(27-3)22(16)29-21(17)15-6-7-18(25)19(11-15)26-2/h4-11,17,21,25H,12H2,1-3H3/b5-4+/t17-,21+/m1/s1
InChIKey RATHWHQMVNHBER-FLWKIERCSA-N
Literature Reference Author S.VALCIC,G.MONTENEGRO,B.N.TIMMERMANN
Literature Reference Citation J.NAT.PROD.,61,771(1998)
Literature Reference DOI 10.1021/np980017j
Molecular Weight 398.412 g/mol
Solvent C6D6
Source File Reference UWCP158