Cinobufotalin, >95% (HPLC)

cas: 1108-68-5 — see every product listed under this CAS number, including other names

Cinobufotalin, >95% (HPLC) (CAS 1108-68-5) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-C475503-10MG
cas1108-68-5
size10mg
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properties

purity>95% (HPLC)
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate (CAS 1108-68-5) is a chemical compound with the molecular formula C26H34O7 and a molecular weight of 458.5 g/mol. IUPAC name: [(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate. InChIKey: KBKUJJFDSHBPPA-ZNCGZLKOSA-N.

Identity
Molecular formulaC26H34O7
Molecular weight458.5 g/mol
IUPAC name[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16S)-14,16-dihydroxy-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
InChIKeyKBKUJJFDSHBPPA-ZNCGZLKOSA-N
SMILESCC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)C6=COC(=O)C=C6

Computed by PubChem (NCBI)

Synonyms: Cinobufotalin, CINOBUFOTLIN, Cinobufagin metabolite m-2, 3beta,5beta-dihydroxy-16beta-acetoxy-14beta,15beta-epoxy-bufa-20,22-dienolide, 14,15b-Epoxy-3b,5a,16b-trihydroxy-5b,20(22)-bufadienolide 16-acetate, 5b,20(22)-Bufadienolide-14,15b-epoxy-3b,5a,16b-triol 16-Acetate, Cinobufotalin?, CINOBUFOTALIN [MI], CINOBUFOTALIN [WHO-DD], orb1219102
Isomers (same molecular formula)
(2E,4E,6E,8E)-10-[[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl]oxy]-10-oxodeca-2,4,6,8-tetraenoic acid C26H34O7
[2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate C26H34O7
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-17-acetyloxy-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C26H34O7
5059-58-5 C26H34O7
[(3S,5R,8R,9S,10S,11S,13R,14S,17R)-11,14-dihydroxy-10,13-dimethyl-12-oxo-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C26H34O7
[(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-14-hydroxy-11-(hydroxymethyl)-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate C26H34O7
4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid C26H34O7

Also listed as

Cinobufotalin GLPBio CAS 1108-68-5
Cinobufotalin/ 99.94% (existing batch purity) TargetMol CAS 1108-68-5
Cinobufotalin, 99.86% MedChemExpress CAS 1108-68-5