Bufotaline

Molecular Formula: C26H36O6


InChI: InChI=1/C26H36O6/c1-15(27)32-21-13-26(30)20-6-5-17-12-18(28)8-10-24(17,2)19(20)9-11-25(26,3)23(21)16-4-7-22(29)31-14-16/h4,7,14,17-21,23,28,30H,5-6,8-13H2,1-3H3/t17-,18+,19u,20u,21+,23+,24+,25-,26+/m1/s1

InChIKey: InChIKey=VOZHMAYHYHEWBW-SFPHARTCBD
SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)O

Names:
    Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)- (9CI)
    Bufotalin
    Bufotaline
    NSC 89596
    3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide
    471-95-4
    5beta-Bufa-20,22-dienolide, 3beta,14,16beta-trihydroxy-, 16-acetate (8CI)
    5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-, 16-ACETATE
    [(3S,5R,10S,13R,14S,16S,17S)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

Registries:
    PubChem CID 10119
    PubChem ID 153356