(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid, 98% (E)

cas: 905-99-7 — see every product listed under this CAS number, including other names

(1alpha,3R,4alpha,5R)-4-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,3,5-trihydroxycyclohexanecarboxylic acid, 98% (E) (CAS 905-99-7) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg. Offered by: BLDpharm.

brandBLDpharm
catalog numberBD328623-10mg
cas905-99-7
size10mg
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Available pack sizes

brand size price
BLDpharm 10mg 464.31 Pln
BLDpharm 25mg 669.79 Pln
BLDpharm 50mg 1086.31 Pln
BLDpharm 100mg 1797.17 Pln

properties

purity98% (E)
delivery time 1-2 weeks

4-O-trans-caffeoylquinic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid. It has a role as a metabolite and a hepatoprotective agent. It is a cinnamate ester and a cyclitol carboxylic acid. It is functionally related to a trans-caffeic acid and a (+)-quinic acid.

Source: ChEBI

Identity
Molecular formulaC16H18O9
Molecular weight354.31 g/mol
IUPAC nametrans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
InChIKeyGYFFKZTYYAFCTR-AVXJPILUSA-N
SMILESC1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

Computed by PubChem (NCBI)

Synonyms: Cryptochlorogenic acid, 4-o-Caffeoyl quinic acid, 4-Cqa, Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester, 4-O-Caffeoylquinic acid, 4-Caffeoylquinic acid, Quinic acid 4-O-caffeate, 4-(3,4-Dihydroxycinnamoyl)quinic acid, 4-O-(E)-caffeoylquinic acid, 4-O-[E]-caffeoylquinic acid
Related forms of this compound
4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
Isomers (same molecular formula)
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
trans-(3R,5R)-1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
bis(3,5-dihydroxy-4-methylbenzoic acid);hydrate C16H18O9
6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C16H18O9
(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9
5,7-dihydroxy-2-methyl-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C16H18O9
5-hydroxy-2-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one C16H18O9
7-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one C16H18O9
5,7-dihydroxy-2-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C16H18O9
3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C16H18O9

Also listed as

Cryptochlorogenic Acid Chemat Brand CAS 905-99-7
4-O-Caffeoylquinic Acid, >95% (HPLC) TRC CAS 905-99-7
Cryptochlorogenic acid GLPBio CAS 905-99-7
Cryptochlorogenic acid/ 99.67% (existing batch purity) TargetMol CAS 905-99-7
4-O-Caffeoylquinic acid, 98.00% Chemat CAS 905-99-7
Cryptochlorogenic acid, 98% (E), 98% (E) Chemat CAS 905-99-7
Cryptochlorogenic acid, 99.87% MedChemExpress CAS 905-99-7
Cryptochlorogenic acid (Standard) MedChemExpress CAS 905-99-7
Cryptochlorogenic acid, 10 mg Roth CAS 905-99-7
Cryptochlorogenic acid, 25 mg Roth CAS 905-99-7
Cryptochlorogenic acid, 50 mg Roth CAS 905-99-7
Cryptochlorogenic acid, 100 mg Roth CAS 905-99-7
CRYPTOCHLOROGENIC ACID, 98% Fluorochem CAS 905-99-7
Cryptochlorogenic acid, 98% (E) Ambeed CAS 905-99-7
4-O-Caffeoylquinic acid >= 98.0 % Sigma-Aldrich CAS 905-99-7

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