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(2'-R,3'-R)-7-(2',3'-DIHYDROXY-3',7'-DIMETHYLOCTA-6'-ENYLOXY)-6,8-DIMETHOXYCOUMARIN
SpectraBase Compound ID 3O9NqZrw0U1
InChI InChI=1S/C21H28O7/c1-13(2)7-6-10-21(3,24)16(22)12-27-19-15(25-4)11-14-8-9-17(23)28-18(14)20(19)26-5/h7-9,11,16,22,24H,6,10,12H2,1-5H3/t16-,21?/m1/s1
InChIKey NIDLLNZZMATZKI-UJONTBEJSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ESeFJdputK
Name (2'-R,3'-R)-7-(2',3'-DIHYDROXY-3',7'-DIMETHYLOCTA-6'-ENYLOXY)-6,8-DIMETHOXYCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-13(2)7-6-10-21(3,24)16(22)12-27-19-15(25-4)11-14-8-9-17(23)28-18(14)20(19)26-5/h7-9,11,16,22,24H,6,10,12H2,1-5H3/t16-,21?/m1/s1
InChIKey NIDLLNZZMATZKI-UJONTBEJSA-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 392.449 g/mol
Sample ID 41283
Solvent CDCl3