Basic Information
|
Product Name: |
CHLOROGENIC ACID |
CAS: |
6001-76-9
;327-97-9
|
English Synonyms: |
CHLOROGENIC ACID
; 3-O-CAFFEOYLQUINIC ACID
; ISOCHLOROGENIC ACID
; (E)-CHLOROGENIC ACID
; HELIANTHIC ACID
; 3-CAFFEOYLQUINIC ACID
; 5-(3,4-DIHYDROXYCINNAMOYL)-D-(-)-QUINIC ACID
; CAFFETANNIC ACID
; (1S,3R,4R,5R)-3-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1,4,5-TRIHYDROXYCYCLOHEXANECARBOXYLIC ACID
; CHLOROGENIC ACID-TRANS
; 3-O-(3,4-DIHYDROXYCINNAMOYL)-D-QUINIC ACID
; (-)-CHLOROGENIC ACID
; 3R-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1S,4R,5R-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID
; 3-(3,4-DIHYDROXYCINNAMOYL)-D(-)-QUINIC ACID
; CAFFEOLYQUINIC ACID
; CHLOROGENIC ACID HEMIHYDRATE
; 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 3-(3,4-DIHYDROXYCINNAMATE)
; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID
; 3-(3,4-DIHYDROXYCINNAMOYL)QUINIC ACID
|
MDL Number.: |
MFCD00003862 |
H bond acceptor: |
9 |
H bond donor: |
6 |
Smile: |
c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O |
InChi: |
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1 |
InChiKey: |
InChIKey=CWVRJTMFETXNAD-JUHZACGLSA-N |
Property
|
Melting Point: |
210 DEG C (DEC)(LIT)/210℃ |
Comments: |
ASSAY METHOD: TITRATION CAUTION: MAY YIELD A HAZY SOLUTION IN ETHANOL UNSPSC: 12352100 WGK: 3 |
Safety information
|
Safe Code: |
S:S24/25; |
WGK Germany: |
3 |
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