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THIELAVIN-H;4-[4'-(2'',4''-DIHYDROXY-6''-METHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-HYDROXY-3,5,6-TRIMETHYLBENZOIC-ACID

View entire compound with spectra: 1 NMR

THIELAVIN-H;4-[4'-(2'',4''-DIHYDROXY-6''-METHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-HYDROXY-3,5,6-TRIMETHYLBENZOIC-ACID
SpectraBase Compound ID GB1u2mURJrq
InChI InChI=1S/C28H28O10/c1-10-8-17(29)9-18(30)19(10)27(35)37-25-14(5)12(3)21(23(32)16(25)7)28(36)38-24-13(4)11(2)20(26(33)34)22(31)15(24)6/h8-9,29-32H,1-7H3,(H,33,34)
InChIKey KMYMIKWZSFWPSJ-UHFFFAOYSA-N
Mol Weight 524.52 g/mol
Molecular Formula C28H28O10
Exact Mass 524.168247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BS5iSdOOUwT
Name THIELAVIN-H;4-[4'-(2'',4''-DIHYDROXY-6''-METHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-HYDROXY-3,5,6-TRIMETHYLBENZOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28O10
InChI InChI=1S/C28H28O10/c1-10-8-17(29)9-18(30)19(10)27(35)37-25-14(5)12(3)21(23(32)16(25)7)28(36)38-24-13(4)11(2)20(26(33)34)22(31)15(24)6/h8-9,29-32H,1-7H3,(H,33,34)
InChIKey KMYMIKWZSFWPSJ-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 524.524 g/mol
Solvent C5D5N
Source File Reference UWSI16002