≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Roburic acid, a tetracyclic triterpenoid found in Gentiana macrophylla, is an inhibitor of COX with IC50 of 5 μM and 9 μM for COX-1 and COX-2, respectively.
| Pubchem Sid | 528772203 |
|---|---|
| Sonrisas canónicas | CC1CCC2(CCC3(C(=CCC4C3(CCC(C4(C)CCC(=O)O)C(=C)C)C)C2C1C)C)C |
| IUPAC Name | 3-[(1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-prop-1-en-2-yl-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]propanoic acid |
| InChIKey | RPPYCVULPFKBOG-CSHKLQQTSA-N |
| INCHI | 1S/C30H48O2/c1-19(2)22-12-16-30(8)24(28(22,6)15-13-25(31)32)10-9-23-26-21(4)20(3)11-14-27(26,5)17-18-29(23,30)7/h9,20-22,24,26H,1,10-18H2,2-8H3,(H,31,32)/t20-,21+,22+,24-,26+,27-,28+,29-,30-/m1/s1 |
| Isómeros SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)[C@@H]2[C@H]1C)C)C |
| PubChem CID | 12315005 |
| Peso molecular | 440.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Clase | Prenol lipids |
| Subclass | Triterpenoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Triterpenoids |
| Alternative Parents | Steroid acids Carbocyclic fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Substituents | Triterpenoid - Steroid acid - Steroid - Carbocyclic fatty acid - Fatty acyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 H2413100 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413101 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413102 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413103 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413104 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413105 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413106 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413107 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| H2413108 | Certificate of Analysis | Mar 26, 2024 | R412649 |
| Sensibilidad | Moisture sensitive，Light sensitive |
|---|---|
| Peso molecular | 440.700 g/mol |
| XLogP3 | 9.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 440.365 Da |
| Monoisotopic Mass | 440.365 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 825.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
