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

View entire compound with spectra: 1 NMR

THIELAVIN-F;4-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-METHOXYBENZOYLOXY]-2-METHOXY-5,6-DIMETHYLBENZOIC-ACID
SpectraBase Compound ID C08igSkoN3d
InChI InChI=1S/C30H32O10/c1-12-10-19(31)17(6)25(32)22(12)29(35)40-26-16(5)15(4)24(27(38-9)18(26)7)30(36)39-20-11-21(37-8)23(28(33)34)14(3)13(20)2/h10-11,31-32H,1-9H3,(H,33,34)
InChIKey DRJGKQRTLCMIRQ-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C30H32O10
Exact Mass 552.199547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2cfltb2EPUW
Name THIELAVIN-F;4-[4'-(2'',4''-DIHYDROXY-3'',6''-DIMETHYLBENZOYLOXY)-3',5',6'-TRIMETHYL-2'-METHOXYBENZOYLOXY]-2-METHOXY-5,6-DIMETHYLBENZOIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32O10
InChI InChI=1S/C30H32O10/c1-12-10-19(31)17(6)25(32)22(12)29(35)40-26-16(5)15(4)24(27(38-9)18(26)7)30(36)39-20-11-21(37-8)23(28(33)34)14(3)13(20)2/h10-11,31-32H,1-9H3,(H,33,34)
InChIKey DRJGKQRTLCMIRQ-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 552.578 g/mol
Solvent C5D5N
Source File Reference UWSI16000