Bufalin

Product Specifications

CAS Number

465-21-4

Hazard Statement

Fatal if swallowed; UN number: UN3462; Packing Group: II

Purity

>95% (HPLC)

Smiles

C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C)[C@@H](CC[C@@]34O)C5=COC(=O)C=C5

Molecular Formula

C24 H34 O4

Molecular Weight

386.52

InChI

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18+,19+,20-,22+,23-,24-/m1/s1

Additionnal Information

IUPAC name: 5-[(3S,5R,8R,9S,10S,13R,14R,17S)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one