116310-05-5

Basic information

• Product Name: Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester
• Synonyms: Benzoicacid, 3,4,5-trihydroxy-,2-[1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester; 3H-Cyclopenta[b]benzofuran, benzoic acid deriv.; Oolongtheanin
• CAS NO: 116310-05-5
• Molecular Formula: C36H28 O17
• Molecular Weight: 732.608
• Mol File: 116310-05-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester(116310-05-5)
• EPA Substance Registry System: Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3a,8b-dihydro-3a,5,6-trihydroxy-3-oxo-3H-cyclopenta[b]benzofuran-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester(116310-05-5)

Safety Data

• Hazardous Substances Data: 116310-05-5(Hazardous Substances Data)

Upstream product

• 2596-50-1 (-)-epigallocathechin gallate 
• 970-73-0 epigallocatechin 

Downstream Products

• 149-91-7 3,4,5-trihydroxybenzoic acid 
• 116329-57-8 desgalloyl oolongtheanin 
• 116310-08-8 3,4,5-Trimethoxy-benzoic acid (2R,3R)-2-[1-((2R,3R)-3-hydroxy-5,7-dimethoxy-chroman-2-yl)-3a,5,6-trimethoxy-3-oxo-3a,8b-dihydro-3H-benzo[b]cyclopenta[d]furan-8-yl]-5,7-dimethoxy-chroman-3-yl ester 

Relevant articles and documents

Tannins and Related Compounds. LXIX. Isolation and Structure Elucidation of B,B'-Linked Bisflavanoids, Theasinensins D-G and Oolongtheanin from Oolong Tea. (2)

Chemical examination of the aqueous acetone extract of commercial oolong tea has led to the isolation of four new theasinensins D-G, and a new type of dimeric flavan-3-ol named oolongtheanin, together with previously reported theasinensins A, B, and C.On the basis of chemical and spectroscopic evidence, theasinensins D and E were characterized as atropisomers (4 and 5) of theasinensins A (1) and C (3), respectively, while theasinensins F and G were shown to be B,B'-linked bisflavanoids (6 and 7) consisting of (-)-epicatechin 3-O-gallate and (-)-epigallocatechin 3-O-gallate units, in which the biphenyl bonds possess S- and R-chiralities, respectively.Similarly, oolongtheanin was characterized as a novel metabolite (8), probably derived from theasinensins by oxidation of one of the B-rings.Keywords - oolong tea; Camellia sinensis var. viridis; Theaceae; polyphenol; theasinensin; oolongtheanin; oxidative metabolite; bisflavanoid; flavan-3-ol; fermentation.