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

cas: 327-97-9 — zobacz wszystkie produkty o tym numerze CAS, także pod innymi nazwami

(1S,3R,4R,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, 98% (CAS 327-97-9) to odczynnik chemiczny dostępny w ofercie Chemat. Dostępne opakowania: 250mg, 1g, 5g, 1kg. Oferty producentów: Chemat.

• 2D
• 3D

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid (CAS 327-97-9) to związek chemiczny o wzorze sumarycznym C16H18O9 i masie molowej 354.31 g/mol. Nazwa systematyczna IUPAC: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid. InChIKey: CWVRJTMFETXNAD-JUHZACGLSA-N.

Dane identyfikacyjne

Wzór sumaryczny	C16H18O9
Masa molowa	354.31 g/mol
Nazwa IUPAC	(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
InChIKey	CWVRJTMFETXNAD-JUHZACGLSA-N
SMILES	C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O

Dane obliczone przez PubChem (NCBI)

Synonimy: CHLOROGENIC ACID, 3-Caffeoylquinic acid, Heriguard, 3-(3,4-Dihydroxycinnamoyl)quinic acid, Caffeoyl quinic acid, CP chlorogenic acid, (+)-Chlorogenic acid, 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid, trans-5-O-Caffeoylquinic acid, Acid, Chlorogenic

Powiązane formy tego związku

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

(1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

(1R,3R,4S,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid C₁₆H₁₈O₉

Izomery (ten sam wzór sumaryczny)

trans-(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-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

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

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