14beta-Hydroxybufa-3,5,20,22-Tetraenolide
[CAS# 545-51-7]

Identification

• Name: 14beta-Hydroxybufa-3,5,20,22-Tetraenolide
• Synonyms: 5-[(10R,13R,14S,17R)-14-Hydroxy-10,13-Dimethyl-1,2,7,8,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Pyranone; 14-Hydroxy-Bufa-3,5,20,22-Tetraenolide; 14-Oxy-Bufotetraen-(3,5,20,22)-Olid [German]
• Molecular Formula: C₂₄H₃₀O₃
• Molecular Weight: 366.50
• CAS Registry Number: 545-51-7
• SMILES: [C@]34(C1C([C@@]2(C(=CC1)C=CCC2)C)CC[C@@]3([C@H](CC4)C5=COC(C=C5)=O)C)O
• InChI: 1S/C24H30O3/c1-22-12-4-3-5-17(22)7-8-20-19(22)10-13-23(2)18(11-14-24(20,23)26)16-6-9-21(25)27-15-16/h3,5-7,9,15,18-20,26H,4,8,10-14H2,1-2H3/t18-,19?,20?,22+,23-,24+/m1/s1
• InChIKey: KBOQXVVZFSWICE-BSKUUKNUSA-N