3-O-Caffeoylshikimic acid

Base Information

Chemical Name:3-O-Caffeoylshikimic acid
CAS No.:1178525-55-7
Molecular Formula:C₁₆H₁₆O₈
Molecular Weight:336.298
Hs Code.:
UNII:K891CTV013
Nikkaji Number:J1.974.725E
Wikidata:Q27282084

Synonyms:3-O-Caffeoylshikimic acid;3-caffeoylshikimic acid;180981-12-8;3-Csa;trans-3-o-Caffeoylshikimic acid;K891CTV013;UNII-K891CTV013;(3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexene-1-carboxylic acid;1-Cyclohexene-1-carboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxy-, (3R,4S,5R)-;1-Cyclohexene-1-carboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-4,5-dihydroxy-, (3R-(3alpha(E),4alpha,5beta))-;caffeoyl shikimic acid;CHEBI:175268;AKOS040735525;Q27282084;1-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-4,5-DIHYDROXY-, (3R-(3.ALPHA.(E),4.ALPHA.,5.BETA.))-;1178525-55-7

Suppliers and Price of 3-O-Caffeoylshikimic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 3-O-Caffeoylshikimic acid

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:336.08451746
Heavy Atom Count:24
Complexity:540

Purity/Quality:

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MSDS Files:

Useful:

Canonical SMILES:C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Isomeric SMILES:C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

Technology Process of 3-O-Caffeoylshikimic acid

There total 2 articles about 3-O-Caffeoylshikimic acid 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: