Caffeylshikimic acid
CAS Registry Number®
6082-44-6
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CAS Name
Caffeylshikimic acidMolecular Formula
C16H16O8Molecular Mass
336.29Cite this Page
Caffeylshikimic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6082-44-6 (retrieved ) (CAS RN: 6082-44-6). 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/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/t12-,13-,15+/m0/s1
InChIKey
InChIKey=MRDAXWGGWWDUKL-KCQAQPDRSA-N
SMILES
O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@H]2C=C(C(O)=O)C[C@H](O)[C@H]2O
Canonical SMILES
O=C(O)C1=CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(O)C(O)C1
Other Names for this Substance
- 1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-4,5-dihydroxy-, (3R,4S,5R)-rel-
- Cinnamic acid, 3,4-dihydroxy-, 3-ester with 3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid
- 1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, (3α,4α,5β)-
- Cinnamic acid, 3,4-dihydroxy-, 3-carboxy-5,6-dihydroxy-2-cyclohexen-1-yl ester
- 1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5-dihydroxy-, (3R,4S,5R)-rel-
