Products 471-95-4

CAS 471-95-4 appears in our catalog under these names: Bufotalin/ 99.67% (existing batch purity), Bufotalin, Bufotalin, >98.0%(HPLC), gamma-Bufotalin, Bufotalin, 98+%, 98+%. Offered by: TargetMol, GLPBio, TCI, Biosynth, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 500mg, 10mM (in 1ml dmso).

Bufotalin/ 99.67% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 452.11
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Bufotalin
GLPBio
  • size: 10mg, 10mM (in 1ml dmso), 5mg
  • Variants: 3
from 798.30
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Bufotalin, >98.0%(HPLC)
TCI
  • size: 10mg
  • Variants: 1
from 842.67
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gamma-Bufotalin
Biosynth
  • size: 1mg
  • Variants: 1
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Bufotalin, 98+%, 98+%
Chemat
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 616.40
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Bufotalin, 99.82%
MedChemExpress
  • size: 1 mg, 10 mg, 5 mg, 10mM/1mL
  • Variants: 4
from 366.13
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Bufotalin (Standard)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

Bufotalin is a steroid lactone. It is functionally related to a bufanolide.

Source: ChEBI

Identity
Molecular formulaC26H36O6
Molecular weight444.6 g/mol
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
InChIKeyVOZHMAYHYHEWBW-NVOOAVKYSA-N
SMILESCC(=O)O[C@H]1C[C@@]2([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: Bufotalin, Bufa-20,22-dienolide, 16-(acetyloxy)-3,14-dihydroxy-, (3beta,5beta,16beta)-, 3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate, 3beta,14beta-dihydroxy-16beta-acetoxy-5beta-bufa-20,22-dienolide, 3 beta-14,16 beta-trihydroxy-5 beta-bufa-20,22-dienolide, Bufotaline, ?-Bufotalin, BUFOTALIN [MI], orb1301358, 3beta-14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide
Isomers (same molecular formula)
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate C26H36O6
[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate C26H36O6
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate C26H36O6
[(8S,9R,10S,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate C26H36O6
3-[(2S,3S)-3-hydroxy-1,4-bis(phenylmethoxy)butan-2-yl]oxypropyl 2,2-dimethylpropanoate C26H36O6
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate C26H36O6