Products 70522-56-4

CAS 70522-56-4 is the registry number for Alphadolone 3-b-D-glucuronide. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 10mg, 25mg.

Alphadolone 3-b-D-glucuronide
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid (CAS 70522-56-4) is a chemical compound with the molecular formula C27H40O10 and a molecular weight of 524.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid. InChIKey: MEVAPGVTSKDONA-IULWRGGCSA-N.

Identity
Molecular formulaC27H40O10
Molecular weight524.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
InChIKeyMEVAPGVTSKDONA-IULWRGGCSA-N
SMILESC[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Alphadolone 3-|A-D-Glucuronide, Alphadolone 3-beta-D-Glucuronide, Alphadolone 3-?-D-Glucuronide, Alphadolone 3-b-D-Glucuronide, (3a,5a)-21-Hydroxy-11,20-dioxopregnan-3-yl b-D-glucopyranosiduronic Acid, 21-Hydroxy-11,20-dioxo-5alpha-pregnan-3alpha-yl beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-[(3R,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]oxane-2-carboxylic acid C27H40O10
[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-7-hydroxy-1,6-bis(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-7-yl]methyl 3-methylbutanoate C27H40O10