5-O-Caffeoylshikimic acid
CAS Registry Number®
73263-62-4
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CAS Name
5-O-Caffeoylshikimic acidMolecular Formula
C16H16O8Molecular Mass
336.29Cite this Page
5-O-Caffeoylshikimic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=73263-62-4 (retrieved ) (CAS RN: 73263-62-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
InChIKey
InChIKey=QMPHZIPNNJOWQI-GDDAOPKQSA-N
SMILES
O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@@H]2CC(C(O)=O)=C[C@@H](O)[C@H]2O
Canonical SMILES
O=C(O)C1=CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1
Other Names for this Substance
- 1-Cyclohexene-1-carboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (3R,4R,5R)-
- 1-Cyclohexene-1-carboxylic acid, 5-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [3R-(3α,4α,5β)]-
- (3R,4R,5R)-5-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-1-cyclohexene-1-carboxylic acid
- 5-O-Caffeoylshikimic acid
- Dactylifric acid
Deleted or Replaced CAS Registry Numbers
378792-53-1
