4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid

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Systematic / IUPAC Name: 4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid

ID: Reference7640

Other Names: Thielavin B;
Benzoic acid, 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester

Formula: C31H34O10

Spectral Data

4-({4-[(2,4-Dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethylbenzoyl}oxy)-2-methoxy-3,5,6-trimethylbenzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2018 2:27:44 PM
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Identificators

InChI InChI=1S/C31H34O10/c1-12-11-20(32)17(6)24(33)21(12)30(36)40-26-16(5)14(3)23(28(39-10)19(26)8)31(37)41-25-15(4)13(2)22(29(34)35)27(38-9)18(25)7/h11,32-33H,1-10H3,(H,34,35)
InChI Key UULGWGARYDGVBM-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C(=C1C(=O)OC2=C(C(=C(C(=C2C)OC)C(=O)OC3=C(C(=C(C(=C3C)OC)C(=O)O)C)C)C)C)O)C)O
CAS 71950679
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Other Names Thielavin B;
Benzoic acid, 4-[(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy]-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester

In Other Databases

PubChem 155686
ChemIDPlus 071950679
ChemSpider 137142