Bufotaline

For Research Use Only.
Category
Steroids
Cat.No.
NP6123
CAS
471-95-4
Product Name
Bufotaline
Structure
Structure

Product Details

Description
Bufotalin is a cardiotoxic bufanolide steroid, cardiac glycoside analogue, secreted by a number of toad species. It is a novel anti-osteoblastoma agent.
Synonyms
Bufotalin; 3b,14,16b-Trihydroxy-5b-bufa-20,22-dienolide 16-acetate; (3beta,5beta,8xi,9xi,16beta)-16-(acetyloxy)-3,14-dihydroxybufa-20,22-dienolide; 16-(acetyloxy)-3,14-dihydroxybufa-20,22-dienolide
IUPAC Name
[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-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
Molecular Weight
444.56
Molecular Formula
C26H36O6
Canonical SMILES
CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=COC(=O)C=C5)C)C)O)O
InChI
InChI=1S/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+,19+,20-,21+,23+,24+,25-,26+/m1/s1
InChIKey
VOZHMAYHYHEWBW-NVOOAVKYSA-N
Purity
>98%
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