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THIELAVIN-I;1-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-3-HYDROXY-2,5,6-TRIMETHYLBENZEN

View entire compound with spectra: 1 NMR

THIELAVIN-I;1-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-3-HYDROXY-2,5,6-TRIMETHYLBENZEN
SpectraBase Compound ID 7qjfzaxPK2B
InChI InChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3
InChIKey UPKGXNUGBGHQFZ-UHFFFAOYSA-N
Mol Weight 494.54 g/mol
Molecular Formula C28H30O8
Exact Mass 494.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xmSeoChTZL
Name THIELAVIN-I;1-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-3-HYDROXY-2,5,6-TRIMETHYLBENZEN
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H30O8
InChI InChI=1S/C28H30O8/c1-11-9-20(30)17(7)25(13(11)3)35-28(34)22-14(4)15(5)26(18(8)24(22)32)36-27(33)21-12(2)10-19(29)16(6)23(21)31/h9-10,29-32H,1-8H3
InChIKey UPKGXNUGBGHQFZ-UHFFFAOYSA-N
Literature Reference Author S.SAKEMI,H.HIRAI,T.ICHIBA,T.INAGAKI,Y.KATO,N.KOJIMA,H.NISHID A,J.C.PARKER,T.SAITO
Literature Reference Citation J.ANTIBIOTICS,55,941(2002)
Literature Reference DOI 10.7164/antibiotics.55.941
Molecular Weight 494.541 g/mol
Solvent C5D5N
Source File Reference UWSI16003