Deacetylbufotalin

cas: 465-19-0 — see every product listed under this CAS number, including other names

Deacetylbufotalin (CAS 465-19-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberFD65682-10mg
cas465-19-0
size10mg
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properties

categoryResearch Chemicals
purityNo data
delivery time1-2 weeks
Structural formula: {0} (CAS {1})

5-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one (CAS 465-19-0) is a chemical compound with the molecular formula C24H34O5 and a molecular weight of 402.5 g/mol. IUPAC name: 5-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one. InChIKey: MWFCMSURKYLINK-QDLCSJEJSA-N.

Identity
Molecular formulaC24H34O5
Molecular weight402.5 g/mol
IUPAC name5-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3,14,16-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
InChIKeyMWFCMSURKYLINK-QDLCSJEJSA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(C[C@@H]([C@@H]4C5=COC(=O)C=C5)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: Bufogenin B, Desacetylbufotalin, 3beta,14beta,16beta-trihydroxy-5beta-bufa-20,22-dienolide, DEACETYLBUFOTALIN, 16-beta-Hydroxybufalin, BUFOGENIN B [MI], 3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide, 3-beta,14,16-beta-Trihydroxy-5-beta-bufa-20,22-dienolide, (3beta,5beta,16beta)-3,14,16-Trihydroxybufa-20,22-dienolide, 5-beta-BUFA-20,22-DIENOLIDE, 3-beta,14,16-beta-TRIHYDROXY-
Isomers (same molecular formula)
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C24H34O5
[(1R,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-1-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H34O5
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate C24H34O5
[(2S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-2-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C24H34O5
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate C24H34O5
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate C24H34O5
[(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6-hydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C24H34O5
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-hydroxy-6,10,13-trimethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C24H34O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (E)-2-methylbut-2-enoate C24H34O5
(13S,17R)-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol C24H34O5
(8S,13S,14S,17S)-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol C24H34O5
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate C24H34O5

Also listed as

Desacetylbufotalin MedChemExpress CAS 465-19-0