Products 5143-05-5

CAS 5143-05-5 appears in our catalog under these names: Gypsogenic Acid, >95% (HPLC), Gypsogenic Acid, Gypsogenic acid, 99.9%. Offered by: TRC, GLPBio, MedChemExpress. Available pack sizes: 2,5mg, 25mg, 500 μg, 1 mg.

Structural formula: {0} (CAS {1})

Gypsogenic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by carboxy groups at positions 23 and 28 and a hydroxy group at position 3 (the 3beta stereoisomer). It has a role as a metabolite and an antibacterial agent. It is a hydroxy carboxylic acid and a pentacyclic triterpenoid. It is a conjugate acid of a gypsogenate(2-). It derives from a hydride of an oleanane.

Source: ChEBI

Identity
Molecular formulaC30H46O5
Molecular weight486.7 g/mol
IUPAC name(3S,4S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-3-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid
InChIKeyPAIBKVQNJKUVCE-JUENUIDLSA-N
SMILESC[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C(=O)O)O

Computed by PubChem (NCBI)