Products 6812-81-3

CAS 6812-81-3 appears in our catalog under these names: Roburic Acid, >95% (HPLC), Roburic acid, Roburic acid, 3-((1S,2S,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-Hexamethyl-2-(prop-1-en-2-yl)-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydrochrysen-1-yl)propanoic acid, 99%, 99%, Roburic acid, 99.93%. Offered by: TRC, GLPBio, TargetMol, Biosynth, Chemat. Available pack sizes: 100mg, 10mg, 20mg, 1mg, 5mg, 25mg, 50mg, 2mg.

Roburic acid is a tetracyclic triterpenoid with formula C30H40O2 that is isolated from the roots of Gentiana dahurica and Gentiana macrophylla. It has a role as a plant metabolite. It is a monocarboxylic acid, a tetracyclic triterpenoid and an olefinic compound.

Source: ChEBI

Identity
Molecular formulaC30H48O2
Molecular weight440.7 g/mol
IUPAC name3-[(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
InChIKeyRPPYCVULPFKBOG-CSHKLQQTSA-N
SMILESC[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

Computed by PubChem (NCBI)