121844-27-7

Basic information

• Product Name: Benzoic acid,3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI)
• Synonyms: Benzoicacid, 3,4,5-trihydroxy-,2-[3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester, [2R-[2a,3a,8(1R*,2R*)]]-; (-)-Assamicain B;Assamicain B
• CAS NO: 121844-27-7
• Molecular Formula: C44H36 O22
• Molecular Weight: 916.757
• Mol File: 121844-27-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoic acid,3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid,3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI)(121844-27-7)
• EPA Substance Registry System: Benzoic acid,3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI)(121844-27-7)

Safety Data

• Hazardous Substances Data: 121844-27-7(Hazardous Substances Data)

Usage

General Description

The chemical compound "Benzoic acid, 3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI)" is a complex chemical with various hydroxyl and carboxylic acid functional groups. It has a chiral center and consists of multiple phenyl rings. Benzoic acid,3,4,5-trihydroxy-,(1R,2R)-2-[(2R,3R)-3,4-dihydro-5,7-dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-8-yl]-2-(3,4,5-trihydroxyphenyl)-1-[(2,4,6-trihydroxyphenyl)methyl]ethylester (9CI) is a natural product isolated from plants and has potential pharmaceutical applications due to its structural diversity and biochemical activity.

Upstream product

• 121795-68-4 3,4,5-Trihydroxy-benzoic acid (R)-2-benzylsulfanyl-1-(2,4,6-trihydroxy-benzyl)-2-(3,4,5-trihydroxy-phenyl)-ethyl ester 
• 2596-50-1 (-)-epigallocathechin gallate 

Downstream Products

• 121795-68-4 3,4,5-Trihydroxy-benzoic acid (R)-2-benzylsulfanyl-1-(2,4,6-trihydroxy-benzyl)-2-(3,4,5-trihydroxy-phenyl)-ethyl ester 
• 2596-50-1 (-)-epigallocathechin gallate 
• 149-91-7 3,4,5-trihydroxybenzoic acid 
• 121844-29-9 (2R,3R)-8-[(1R,2R)-2-Hydroxy-3-(2,4,6-trihydroxy-phenyl)-1-(3,4,5-trihydroxy-phenyl)-propyl]-2-(3,4,5-trihydroxy-phenyl)-chroman-3,5,7-triol 

Relevant articles and documents

Tannins and Related Compounds. LXXVII. Novel Chalcan-flavan Dimers, Assamicains A, B and C, and a New Flavan-3-ol and Proanthocyanidins from the Fresh Leaves of Camellia sinensis L. var. assamica KITAMURA

Three novel chalcan-flavan dimers, assamicains A (1), B (2) and C (3), and a new flavan-3-ol (14) and proanthocyanidins (19,20) have been isolated, together with the known flavan-3-ols (4-13), proanthocyanidins (15-18,21), theasinensins (22-24) and hydrolyzable tannins (25,26), from the fresh leaves of Camellia sinensis var. assamica (Camelliaceae), and their structures have been established on the basis of spectroscopic evidence in conjunction with thiolytic degradation and enzymatic hydrolysis. - Keywords: Camellia sinensis var. assamica; Camelliaceae; polyphenol; assamicain; chalcan-flavan dimer; proanthocyanidin; theasinensin; flavan-3-ol; hydrolyzable tannin; black tea