Products 18404-43-8

CAS 18404-43-8 appears in our catalog under these names: Digitoxigenin Mono-Beta-D-digitoxoside, >95% (HPLC), Digitoxigenin mono-β-D-digitoxoside. Offered by: TRC, Biosynth. Available pack sizes: 0,5mg, 1mg, 5mg, 10mg, 25mg, 50mg.

Digitoxigenin Mono-Beta-D-digitoxoside, >95% (HPLC)
TRC
  • size: 0,5mg, 1mg, 5mg
  • Variants: 3
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Digitoxigenin mono-β-D-digitoxoside
Biosynth
  • size: 5mg, 10mg, 25mg, 50mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one (CAS 18404-43-8) is a chemical compound with the molecular formula C29H44O7 and a molecular weight of 504.7 g/mol. IUPAC name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one. InChIKey: NQOMDNMTNVQXRR-WQLPVBBFSA-N.

Identity
Molecular formulaC29H44O7
Molecular weight504.7 g/mol
IUPAC name3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyNQOMDNMTNVQXRR-WQLPVBBFSA-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]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: Digitoxigenin monodigitoxoside, Evatromonoside, Digitoxigenin Mono-b-D-digitoxoside, Digitoxigenin Monodigitoxoside;, DIGITOXIGENIN MONO-.BETA.-D-DIGITOXOSIDE
Isomers (same molecular formula)
methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C29H44O7
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C29H44O7