Roccellic acid
Roccellic acid is a chemical compound with the molecular formula .mw-parser-output .template-chem2-su{display:inline-block;font-size:80%;line-height:1;vertical-align:-0.35em}.mw-parser-output .template-chem2-su>span{display:block;text-align:left}.mw-parser-output sub.template-chem2-sub{font-size:80%;vertical-align:-0.35em}.mw-parser-output sup.template-chem2-sup{font-size:80%;vertical-align:0.65em}C17H32O4. It was first described in the 19th century as a chemical constituent of the lichen Roccella tinctoria. It has since been identified in a variety of other lichens including Roccella montagnei, Lobodirina cerebriformes, Lobodirina mahuiana, and Dirina lutosa, among others.
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| Column 1 | Column 2 |
|---|---|
| IUPAC name | |
| (2R,3S)-2-Dodecyl-3-methylbutanedioic acid | |
| Other names | |
| Rocellic acid | |
| CAS Number | .mw-parser-output .plainlist ol,.mw-parser-output .plainlist ul{line-height:inherit;list-style:none;margin:0;padding:0}.mw-parser-output .plainlist ol li,.mw-parser-output .plainlist ul li{margin-bottom:0}29838-46-8 |
| 3D model (JSmol) | Interactive image |
| ChEBI | CHEBI:144218 |
| ChEMBL | ChEMBL3138662 |
| ChemSpider | 9624298 |
| PubChem CID | 11449446 |
| UNII | AEL38V7F67 |
| CompTox Dashboard (EPA) | DTXSID90952266 |
| InChI | |
| InChI=1S/C17H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(17(20)21)14(2)16(18)19/h14-15H,3-13H2,1-2H3,(H,18,19)(H,20,21)/t14-,15+/m0/s1Key: CADNMISJDLVPCK-LSDHHAIUSA-N | |
| SMILES | |
| CCCCCCCCCCCCC@HC(=O)O | |
| Chemical formula | C17H32O4 |
| Molar mass | 300.439 g·mol−1 |
| Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). |
Infobox references | |
Roccellic acid is a chemical compound with the molecular formula .mw-parser-output .template-chem2-su{display:inline-block;font-size:80%;line-height:1;vertical-align:-0.35em}.mw-parser-output .template-chem2-su>span{display:block;text-align:left}.mw-parser-output sub.template-chem2-sub{font-size:80%;vertical-align:-0.35em}.mw-parser-output sup.template-chem2-sup{font-size:80%;vertical-align:0.65em}C17H32O4. It was first described in the 19th century as a chemical constituent of the lichen Roccella tinctoria. It has since been identified in a variety of other lichens including Roccella montagnei, Lobodirina cerebriformes, Lobodirina mahuiana, and Dirina lutosa, among others.
Several laboratory syntheses of roccellic acid have been reported.
Toensbergianic acid is a stereoisomer of roccellic acid and angardianic acid has been reported to be closely related, but its exact chemical structure is undetermined.
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