3,3',4',5,5',7-Hexahydroxyflavylium

Base Information

• Chemical Name: 3,3',4',5,5',7-Hexahydroxyflavylium
• CAS No.: 13270-61-6
• Deprecated CAS: 37219-75-3
• Molecular Formula: C15H11O7
• Molecular Weight: 303.248
• Hs Code.: 2907299090
• UNII: 031A4BN94T
• DSSTox Substance ID: DTXSID80862123
• Nikkaji Number: J69.704D
• Wikipedia: Delphinidin
• Wikidata: Q63409071
• NCI Thesaurus Code: C68446
• ChEMBL ID: CHEMBL276780
• Mol file: 13270-61-6.mol

Synonyms:delphinidin;delphinidin chloride

Chemical Property of 3,3',4',5,5',7-Hexahydroxyflavylium

Chemical Property:

• Refractive Index: 1.4790 (estimate)
• Boiling Point: 364.18°C (rough estimate)
• PSA: 134.52000
• Density: 1.3469 (rough estimate)
• LogP: 2.61450
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 303.05047769
• Heavy Atom Count: 22
• Complexity: 380

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O

Technology Process of 3,3',4',5,5',7-Hexahydroxyflavylium

There total 11 articles about 3,3',4',5,5',7-Hexahydroxyflavylium which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

PZ-5 → pelargonidin (7690-51-9) + cyanidin (13306-05-3) + delphinidin (13270-61-6) + catechin (154-23-4)

Guidance literature:

Acid hydrolysis;

DOI:10.1023/A:1015773513717

Reference yield:

delphinidin 3-O-[2-O-(2-(trans-caffeoyl)-β-D-glucopyranosyl)-β-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-β-D-glucopyranoside]-3'-O-[β-D-glucuronopyranoside] → D-glucuronic acid (6556-12-3,489-91-8,528-16-5,552-12-5,577-46-8,643-33-4,2240-07-5,6294-16-2,10133-02-5,18402-78-3,18968-14-4,21179-08-8,23018-83-9,33599-45-0,33599-46-1,46171-67-9,46171-69-1,46172-26-3,70021-34-0,71031-08-8,104195-06-4,106499-29-0,124817-72-7) + delphinidin (13270-61-6) + D-glucose (50-99-7) + D-Galactose (59-23-4)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0031-9422(02)00097-3

Reference yield:

delphinidin 3-O-[2-O-(2-(trans-caffeoyl)-β-D-glucopyranosyl)-6-O-(2-O-(tartaryl)malonyl)-β-D-galactopyranoside]-7-O-[6-O-(trans-caffeoyl)-β-D-glucopyranoside] → D-glucuronic acid (6556-12-3,489-91-8,528-16-5,552-12-5,577-46-8,643-33-4,2240-07-5,6294-16-2,10133-02-5,18402-78-3,18968-14-4,21179-08-8,23018-83-9,33599-45-0,33599-46-1,46171-67-9,46171-69-1,46172-26-3,70021-34-0,71031-08-8,104195-06-4,106499-29-0,124817-72-7) + delphinidin (13270-61-6) + D-glucose (50-99-7) + D-Galactose (59-23-4)

Guidance literature:

With hydrogenchloride; In methanol; at 20 ℃; Title compound not separated from byproducts;

DOI:10.1016/S0031-9422(02)00097-3

upstream raw materials:

delphinidin-3-O-glucoside

delphinidin 3-O-β-D-galactopyranoside

delphinidin 3,5-O-diglucopyranoside

delphinidin-3-O-glucoside

Downstream raw materials:

delphinidin-3-O-glucoside

delphinidin 3-O-galactoside

(-)-gallocatechin

epigallocatechin

Refernces

• 1、 Tatsuzawa, Fumi,Saito, Norio,Maeyama, Kazushi,Yokoi, Masato,Shigihara, Atsushi,Honda, Toshio. "Triacylated anthocyanidin 3-arabinosylglucoside-7,3'-diglucosides isolated from the bluish flowers of Tradescantia virginiana cultivars and their distribution in the Tradescantieae". experimental part. p. 2257 - 2267. Retrieved 2011/04/12.
• 2、 Saito, Norio,Toki, Kenjiro,Moriyama, Hidekazu,Shigihara, Atsushi,Honda, Toshio. "Acylated anthocyanins from the blue-violet flowers of Anemone coronaria". . p. 365 - 373. Retrieved 2007/10/03.