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(2'-R,3'-R,4'-S,5'-S)-6,8-DIMETHOXY-7-(3',7'-DIMETHYL-4',5'-EPOXY-2'-HYDROXYOCTA-6'-ENYLOXY)-COUMARIN
SpectraBase Compound ID LUBD7zGDhxK
InChI InChI=1S/C21H26O7/c1-11(2)8-16-18(27-16)12(3)14(22)10-26-20-15(24-4)9-13-6-7-17(23)28-19(13)21(20)25-5/h6-9,12,14,16,18,22H,10H2,1-5H3/t12-,14+,16+,18-/m1/s1
InChIKey INDVJVFRQZLXKM-BSXOQXRQSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8vUNXWqtpfM
Name (2'-R,3'-R,4'-S,5'-S)-6,8-DIMETHOXY-7-(3',7'-DIMETHYL-4',5'-EPOXY-2'-HYDROXYOCTA-6'-ENYLOXY)-COUMARIN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-11(2)8-16-18(27-16)12(3)14(22)10-26-20-15(24-4)9-13-6-7-17(23)28-19(13)21(20)25-5/h6-9,12,14,16,18,22H,10H2,1-5H3/t12-,14+,16+,18-/m1/s1
InChIKey INDVJVFRQZLXKM-BSXOQXRQSA-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 390.433 g/mol
Sample ID 41286
Solvent CDCl3