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(2'-R,3'-R,6'-R)-7-(2'.3'-DIHYDROXY-6',7'-EPOXY-3',7'-DIMETHYLOCTAOXY)-6,8-DIMETHOXYCOUMARIN
SpectraBase Compound ID 2bDKBY3gfYr
InChI InChI=1S/C21H28O8/c1-20(2)15(29-20)8-9-21(3,24)14(22)11-27-18-13(25-4)10-12-6-7-16(23)28-17(12)19(18)26-5/h6-7,10,14-15,22,24H,8-9,11H2,1-5H3/t14-,15-,21?/m1/s1
InChIKey BANQKNDBYSHYOO-CETIQBBDSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4bRVVToUMI
Name (2'-R,3'-R,6'-R)-7-(2'.3'-DIHYDROXY-6',7'-EPOXY-3',7'-DIMETHYLOCTAOXY)-6,8-DIMETHOXYCOUMARIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c1-20(2)15(29-20)8-9-21(3,24)14(22)11-27-18-13(25-4)10-12-6-7-16(23)28-17(12)19(18)26-5/h6-7,10,14-15,22,24H,8-9,11H2,1-5H3/t14-,15-,21?/m1/s1
InChIKey BANQKNDBYSHYOO-CETIQBBDSA-N
Literature Reference Author T.T.DAO,T.T.TRAN,J.KIM,P.H.NGUYEN,E.H.LEE,J.PARK,I.S.JANG,W. K.OH
Literature Reference Citation J.NAT.PROD.,75,1332(2012)
Literature Reference DOI 10.1021/np300258u
Molecular Weight 408.449 g/mol
Sample ID 41285
Solvent CDCl3