trans-3-O-Caffeoylshikimic Acid

cas: 180981-12-8 — see every product listed under this CAS number, including other names

trans-3-O-Caffeoylshikimic Acid (CAS 180981-12-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-C843760-100MG
cas180981-12-8
size100mg
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TRC 100mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

3-O-Caffeoylshikimic acid is a hydroxycinnamic acid.

Source: ChEBI

Identity
Molecular formulaC16H16O8
Molecular weight336.29 g/mol
IUPAC name(3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-4,5-dihydroxycyclohexene-1-carboxylic acid
InChIKeyMRDAXWGGWWDUKL-VKJPNVGWSA-N
SMILESC1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-caffeoylshikimic acid, trans-3-o-Caffeoylshikimic acid, 3-Csa, 3-Caffeoylshikimate, 3-O-Caffeoylshikimic acid, orb1991277
Isomers (same molecular formula)
(3R,4S,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,5-dihydroxycyclohexene-1-carboxylic acid C16H16O8
(3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid C16H16O8
(1S,2R,3S,4R)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione C16H16O8
(5S,6R,7S)-5,6,7,9,10-pentahydroxy-2-methoxy-7-methyl-6,8-dihydro-5H-anthracene-1,4-dione C16H16O8

Also listed as

(3R,4S,5R)-3-(((2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-4,5-dihydroxy-1-cyclohexene-1-carboxylic Acid TRC CAS 180981-12-8
3-o-Caffeoylshikimic acid Biosynth CAS 180981-12-8