(3beta,5beta,11alpha)-3-[(7-Carboxy-1-oxoheptyl)oxy]-11,14-dihydroxy-12-oxo-bufa-20,22-dienolide, ≥98%, ≥98%

cas: 30219-16-0 — see every product listed under this CAS number, including other names

(3beta,5beta,11alpha)-3-[(7-Carboxy-1-oxoheptyl)oxy]-11,14-dihydroxy-12-oxo-bufa-20,22-dienolide, ≥98%, ≥98% (CAS 30219-16-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

brandChemat
catalog numberCh11BFS4-5mg
cas30219-16-0
size5mg
availability 0.005g
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Available pack sizes

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Chemat 5mg 2651.60 Pln

properties

purity≥98%
delivery time3 weeks
Structural formula: {0} (CAS {1})

8-[[(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]oxy]-8-oxooctanoic acid (CAS 30219-16-0) is a chemical compound with the molecular formula C32H44O9 and a molecular weight of 572.7 g/mol. IUPAC name: 8-[[(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]oxy]-8-oxooctanoic acid. InChIKey: LYCCSNYEMCXNRM-QCTKBPTFSA-N.

Identity
Molecular formulaC32H44O9
Molecular weight572.7 g/mol
IUPAC name8-[[(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]oxy]-8-oxooctanoic acid
InChIKeyLYCCSNYEMCXNRM-QCTKBPTFSA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2[C@@H](C(=O)[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)OC(=O)CCCCCCC(=O)O

Computed by PubChem (NCBI)

Synonyms: Arenobufagin 3-hemisuberate, Arenobufagin3-hemisuberate, orb1684756
Isomers (same molecular formula)
6-(12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid C32H44O9
(E,4S,6R)-6-[(3S,5R,10S,12S,13R,14R,17R)-12-acetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-4-hydroxy-2-methylhept-2-enoic acid C32H44O9
(Z,2R)-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C32H44O9
(6R)-6-[(5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C32H44O9
(E)-6-[(3S,5R,7S,10S,12S,13R,14R,17R)-12-acetyloxy-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C32H44O9

Also listed as

Arenobufagin 3-hemisuberate MedChemExpress CAS 30219-16-0