Desacetylcinobufagin

Desacetylcinobufagin is an active metabolite of the cardiotonic steroid cinobufagin (Cay-19844). It is cytotoxic to HepG2, K562, and HL-60 cells (IC50s = 51.2, 50.1, and 7.5 µM, respectively).Formal Name: (5beta)-14,15beta-epoxy-3beta,16beta-dihydroxy-bufa-20,22-dienolide. CAS Number: 4026-95-3. Synonyms: Deacetylcinobufagin, NSC 234203. Molecular Formula: C24H32O5. Formula Weight: 400.5. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Acetonitrile: Slightly soluble, DMSO: Slightly soluble, Methanol: Slightly soluble. SMILES: C[C@]12[C@@]3([C@@]4([H])[C@]([C@@]5([C@](C[C@H](CC5)O)([H])CC4)C)([H])CC2)[C@]([C@@H]([C@@H]1C(C=C6)=COC6=O)O)([H])O3. InChi Code: InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-,22+,23-,24-/m1/s1. InChi Key: IXZHDDUFQVXHIL-UOAIQHMYSA-N. Origin: Plant/Bufonis Venenum.