Cryptochlorogenic acid

Datasheet MSDS
Catalog Number
ANC04115
Product Name
Cryptochlorogenic acid
CAS Number
905-99-7
IUPAC Name
(3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid
Synonyms
4-O-(3,4-Dihydroxycinnamoyl)-D-quinicacid; 3,4-Dihydroxycinnamicacid4-carboxy-2,4,6-trihydroxycyclohexylester; 4-Caffeoylquinicacid; Quinicacid4-O-caffeate; 4-DicaffeoylquinicAcid
Molecular Formula
C16H18O9
Molecular Weight
354.31
Appearance
White powder
Purity
>98%
Density
1.65±0.1g/cm3
Solubility
10 mM in DMSO
Boiling Point
694.9±55.0°C|Condition: Press: 760 Torr
Storage
-20°C Freezer
SMILES
C1[C@H](C([C@@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1
InChI Key
GYFFKZTYYAFCTR-AVXJPILUSA-N
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