Alpha-D-Digitoxopyranosyl-oxy 12Beta-Acetyldigoxigenin

cas: 2611152-01-1 — see every product listed under this CAS number, including other names

Alpha-D-Digitoxopyranosyl-oxy 12Beta-Acetyldigoxigenin (CAS 2611152-01-1) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-D173940-10MG
cas2611152-01-1
size10mg
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate (CAS 2611152-01-1) is a chemical compound with the molecular formula C31H46O9 and a molecular weight of 562.7 g/mol. IUPAC name: [(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate. InChIKey: BZMXKBPQVOXFDZ-QOTBHBAFSA-N.

Identity
Molecular formulaC31H46O9
Molecular weight562.7 g/mol
IUPAC name[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] acetate
InChIKeyBZMXKBPQVOXFDZ-QOTBHBAFSA-N
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)OC(=O)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: a-D-Digitoxopyranosyl-oxy 12b-Acetyldigoxigenin, Alpha-D-Digitoxopyranosyl-oxy 12Beta-Acetyldigoxigenin

Also listed as

a-D-Digitoxopyranosyl-oxy 12b-Acetyldigoxigenin TRC CAS 2611152-01-1