Butyl chlorogenate

cas: 132741-56-1 — see every product listed under this CAS number, including other names

Butyl chlorogenate (CAS 132741-56-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg. Offered by: Chemat.

brandChemat
catalog numberCh12PIZB-1mg
cas132741-56-1
size1mg
availability 0.1g
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Available pack sizes

brand size price
Chemat 1mg 429.20 Pln
Chemat 5mg 995.60 Pln
Chemat 10mg 1432.40 Pln
Chemat 25mg 2224.40 Pln
Chemat 50mg 2901.20 Pln
Chemat 100mg 3986.00 Pln

properties

delivery time3 weeks
Structural formula: {0} (CAS {1})

Butyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate (CAS 132741-56-1) is a chemical compound with the molecular formula C20H26O9 and a molecular weight of 410.4 g/mol. IUPAC name: butyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate. InChIKey: VNLREARKISTOAD-SNQQTVKYSA-N.

Identity
Molecular formulaC20H26O9
Molecular weight410.4 g/mol
IUPAC namebutyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
InChIKeyVNLREARKISTOAD-SNQQTVKYSA-N
SMILESCCCCOC(=O)[C@@]1(C[C@H]([C@H]([C@@H](C1)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Chlorogenic acid butyl ester, Butyl chlorogenate, orb1737441, 3-O-caffeoylquinic acid butyl ester
Isomers (same molecular formula)
(1R,2R,3R,6R,8S,12R,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione C20H26O9
(1R,4R,5R,6S,7R,8R,11R,13S,17S,18S,19R)-4,5,7,8,17-pentahydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione C20H26O9
[(3aS,4R,6S,7R,7aS)-7-acetyloxy-6-(4-methoxyphenoxy)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl acetate C20H26O9
[(2R,3S,4S,5R,6R)-3,5-diacetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate C20H26O9
(1R,2R,3R,6R,8S,12S,13S,14R,15R,16S,17R)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione C20H26O9
2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one C20H26O9
(1R,4R,5R,7R,8R,11R,13S,16S,17S,18S,19R)-4,5,7,8,16,17-hexahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one C20H26O9
(1S,4R,5R,6R,7R,11R,13S,17S,18S,19R)-4,5,6,17-tetrahydroxy-6-(hydroxymethyl)-14,18-dimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione C20H26O9

Also listed as

Butyl chlorogenate/ 98% TargetMol CAS 132741-56-1
Chlorogenic acid butyl ester, 98.19% MedChemExpress CAS 132741-56-1