Cinobufotalin

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

Cinobufotalin (CAS 1108-68-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 10mM (in 1ml dmso). Offered by: GLPBio.

brandGLPBio
catalog numberGC32757-5
cas1108-68-5
size5mg
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Available pack sizes

brand size price
GLPBio 5mg 798.30 Pln
GLPBio 10mg 1060.41 Pln
GLPBio 10mM (in 1ml dmso) 840.43 Pln

properties

purityNo data
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

Also listed as

Cinobufotalin, >95% (HPLC) TRC CAS 1108-68-5
Cinobufotalin/ 99.94% (existing batch purity) TargetMol CAS 1108-68-5
Cinobufotalin, 99.86% MedChemExpress CAS 1108-68-5