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THIELAVIN-N;4-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-METHOXY-5,6-DIMETHYLBENZOIC-ACID

View entire compound with spectra: 1 NMR

THIELAVIN-N;4-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-METHOXY-5,6-DIMETHYLBENZOIC-ACID
SpectraBase Compound ID 7A34yyv7IF5
InChI InChI=1S/C29H30O10/c1-11-9-18(30)16(6)24(31)21(11)28(35)39-26-15(5)14(4)23(25(32)17(26)7)29(36)38-19-10-20(37-8)22(27(33)34)13(3)12(19)2/h9-10,30-32H,1-8H3,(H,33,34)
InChIKey JBTRJGNHONXFCA-UHFFFAOYSA-N
Mol Weight 538.55 g/mol
Molecular Formula C29H30O10
Exact Mass 538.183897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4vE65MJnIV
Name THIELAVIN-N;4-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-HYDROXYBENZOYLOXY]-2-METHOXY-5,6-DIMETHYLBENZOIC-ACID
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O10
InChI InChI=1S/C29H30O10/c1-11-9-18(30)16(6)24(31)21(11)28(35)39-26-15(5)14(4)23(25(32)17(26)7)29(36)38-19-10-20(37-8)22(27(33)34)13(3)12(19)2/h9-10,30-32H,1-8H3,(H,33,34)
InChIKey JBTRJGNHONXFCA-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 538.551 g/mol
Solvent C5D5N
Source File Reference UWSI16008