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DISCOLORANONE_B;(3-S)-5,2',3'-TRIHYDROXY-4'-METHOXY-3''-METHYL-3''-(4-METHYLPENT-3-ENYL)-PYRANO-[7.8]-ISOFLAVANONE
SpectraBase Compound ID D1mLQ2CDJg8
InChI InChI=1S/C26H28O7/c1-14(2)6-5-10-26(3)11-9-16-20(33-26)12-18(27)21-22(28)17(13-32-25(16)21)15-7-8-19(31-4)24(30)23(15)29/h6-9,11-12,17,27,29-30H,5,10,13H2,1-4H3/t17-,26?/m1/s1
InChIKey UHIRAJMFBJREAS-SIHBAMTISA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jw4J53tmL6r
Name DISCOLORANONE_B;(3-S)-5,2',3'-TRIHYDROXY-4'-METHOXY-3''-METHYL-3''-(4-METHYLPENT-3-ENYL)-PYRANO-[7.8]-ISOFLAVANONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-14(2)6-5-10-26(3)11-9-16-20(33-26)12-18(27)21-22(28)17(13-32-25(16)21)15-7-8-19(31-4)24(30)23(15)29/h6-9,11-12,17,27,29-30H,5,10,13H2,1-4H3/t17-,26?/m1/s1
InChIKey UHIRAJMFBJREAS-SIHBAMTISA-N
Literature Reference Author Y.W.CHIN,L.K.MDEE,Z.H.MBWAMBO,Q.MI,H.B.CHAI,G.M.CRAGG,S.M.SW ANSON,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,69,1649(2006)
Literature Reference DOI 10.1021/np060418w
Molecular Weight 452.504 g/mol
Solvent CDCl3
Source File Reference UWMZ17244