Neochlorogenic Acid
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Product Description
Product
Neochlorogenic Acid
CAS
906-33-2
Formula
C16H18O9
Synonym
Neochlorogenic acid; Neochlorogenic acid,5-Caffeoylquinic acid,trans-5-O-Caffeoyl-D-quinate; trans-5-O-Caffeoyl-D-quinate; UNII-O4601UER1Z; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R)-3ß-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1ß,4ß,5a-trihydroxycyclohexane-1a-carboxylic acid; (1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid; [1R-(1alpha,3alpha,4alpha,5beta)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 5-Caffeoylquinic acid; 5-Caffeylquinic acid; 5-O-CAFFEOYLQUINICACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; EINECS 212-997-1
Typical Product Specifications
Molecular weight
354.31
EINECS
212-997-1
SMILES
O(C(\C=C\c1ccc(c(c1)O)O)=O)[C@@H]1C[C@@](C[C@H]([C@@H]1O)O)(C(=O)O)O
InChI
CWVRJTMFETXNAD-NXLLHMKUSA-N
InChIKey
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
Class
Neochlorogenic Acid
Product Description
Product
Neochlorogenic Acid
CAS
906-33-2
Formula
C16H18O9
Synonym
Neochlorogenic acid; Neochlorogenic acid,5-Caffeoylquinic acid,trans-5-O-Caffeoyl-D-quinate; trans-5-O-Caffeoyl-D-quinate; UNII-O4601UER1Z; (1R-(1alpha,3alpha,4alpha,5beta))-3-((3-(3,4-Dihydroxyphenyl)-1-oxoallyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid; (1R)-3ß-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1ß,4ß,5a-trihydroxycyclohexane-1a-carboxylic acid; (1R,3R,4S,5R)-5-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-1,3,4-trihydroxycyclohexane-1-carboxylic acid; [1R-(1alpha,3alpha,4alpha,5beta)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxoallyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid; 5-Caffeoylquinic acid; 5-Caffeylquinic acid; 5-O-CAFFEOYLQUINICACID; Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1R-(1alpha,3alpha,4alpha,5beta))-; EINECS 212-997-1
Typical Product Specifications
Molecular weight
354.31
EINECS
212-997-1
SMILES
O(C(\C=C\c1ccc(c(c1)O)O)=O)[C@@H]1C[C@@](C[C@H]([C@@H]1O)O)(C(=O)O)O
InChI
CWVRJTMFETXNAD-NXLLHMKUSA-N
InChIKey
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
Class
