Bufotaline

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6123

CAS

471-95-4

Product Name

Bufotaline

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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