3-o-Caffeoylshikimic acid

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

3-o-Caffeoylshikimic acid (CAS 180981-12-8) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 250mg, 500mg, 1000mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberFHA98112-100mg
cas180981-12-8
size100mg
Need more information?

Ask us about this product — we're happy to help.

Available pack sizes

brand size price
Biosynth 100mg price on request
Biosynth 250mg price on request
Biosynth 500mg price on request
Biosynth 1000mg price on request
MedChemExpress Get quote price on request

properties

categoryNatural Products
purityNo data
delivery time2-3 weeks
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
trans-3-O-Caffeoylshikimic Acid TRC CAS 180981-12-8