Benzoylhypaconine

Benzoylhypaconine is a monoester diterpene alkaloid and hydrolyzed product of hypaconitine (Cay-29656) that has been found in Aconitum and has anti-inflammatory activity. It inhibits COX-2 activity in a cell-free assay (IC50 = 20.5 µM). Benzoylhypaconine (200 mg/kg) reduces histamine-induced vascular permeability in rats.Formal Name: (1alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-8,13,14,15-tetrol, 14-benzoate. CAS Number: 63238-66-4. Synonyms: Benzoylhypacoitine, BHA. Molecular Formula: C31H43NO9. Formula Weight: 573.7. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, Ethanol: 30 mg/ml. lambdamax: 231 nm. SMILES: CO[C@@H](CC1)C([C@@](C[C@@]2([C@H]3OC)O)([H])[C@H](C2([H])OC(C4=CC=CC=C4)=O)[C@@]5([C@H]3O)O)(C(N6C)C5[C@@H]7OC)[C@@]7([H])[C@@]1(C6)COC. InChi Code: InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18+,19-,20?,21+,22-,23?,24+,25?,26+,28+,29-,30?,31-/m1/s1. InChi Key: MDFCJNFOINXVSU-ANXTVRNHSA-N.