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QNKBJLDBRALWTE-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR

QNKBJLDBRALWTE-UHFFFAOYSA-N
SpectraBase Compound ID IoJeJVrZioX
InChI InChI=1S/C34H30O10/c1-17-28(38)26(23(35)14-9-18-7-5-4-6-8-18)29(39)22(32(17)43-3)15-21-24(36)16-25(37)27-30(40)31(41)33(44-34(21)27)19-10-12-20(42-2)13-11-19/h4-8,10-13,16,36-39,41H,9,14-15H2,1-3H3
InChIKey QNKBJLDBRALWTE-UHFFFAOYSA-N
Mol Weight 598.6 g/mol
Molecular Formula C34H30O10
Exact Mass 598.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bo8t6zlGTBg
Name TRIANGULETIN;8-[2,4-DIHYDROXY-6-METHOXY-5-METHYL-3-(1-OXO-3-PHENYLPROPYL)-PHEHYL]-METHYL]-3,5,7-TRIHYDROXY-2-(4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ON
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H30O10
InChI InChI=1S/C34H30O10/c1-17-28(38)26(23(35)14-9-18-7-5-4-6-8-18)29(39)22(32(17)43-3)15-21-24(36)16-25(37)27-30(40)31(41)33(44-34(21)27)19-10-12-20(42-2)13-11-19/h4-8,10-13,16,36-39,41H,9,14-15H2,1-3H3
InChIKey QNKBJLDBRALWTE-UHFFFAOYSA-N
Literature Reference Author J.N.ROITMAN,R.Y.WONG,E.WOLLENWEBER
Literature Reference Citation PHYTOCHEM.,34,297(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90824-0
Molecular Weight 598.606 g/mol
Solvent DMSO-D6
Source File Reference UWLU7282