Products 168770-31-8

CAS 168770-31-8 appears in our catalog under these names: Oleanolic acid hemiphthalate disodium salt, Oleanolic acid hemiphthalate disodium salt, 98.05%, 98.05%, Oleanolic acid hemiphthalate disodium salt, 98.05%. Offered by: TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 5mg, 25mg, 10mg, 50mg, 1mg, 10mM/1mL, 100 mg, 5 mg.

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

Disodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate (CAS 168770-31-8) is a chemical compound with the molecular formula C38H50Na2O6 and a molecular weight of 648.8 g/mol. IUPAC name: disodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate. InChIKey: YBXPMGGHNXZAJS-IAYBDFNWSA-L.

Identity
Molecular formulaC38H50Na2O6
Molecular weight648.8 g/mol
IUPAC namedisodium;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(2-carboxylatobenzoyl)oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChIKeyYBXPMGGHNXZAJS-IAYBDFNWSA-L
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)OC(=O)C6=CC=CC=C6C(=O)[O-].[Na+].[Na+]

Computed by PubChem (NCBI)