Alphadolone 21-beta-D-Glucuronide

cas: 36707-55-8 — see every product listed under this CAS number, including other names

Alphadolone 21-beta-D-Glucuronide (CAS 36707-55-8) is a chemical reagent available from Chemat. Available pack sizes: 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-A575520-50MG
cas36707-55-8
size50mg
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Structural formula: {0} (CAS {1})

(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 (CAS 36707-55-8) 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-[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. InChIKey: YAICZXPNWGFCGW-IULWRGGCSA-N.

Identity
Molecular formulaC27H40O10
Molecular weight524.6 g/mol
IUPAC name(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
InChIKeyYAICZXPNWGFCGW-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@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: Alphadolone 21-?-D-Glucuronide, Alphadolone 21-beta-D-Glucuronide, Alphadolone 21-b-D-Glucuronide, Alphadolone 21-|A-D-Glucuronide, 3alpha-Hydroxy-11,20-dioxo-5beta-pregnan-21-yl beta-D-glucopyranosiduronic Acid, (3a,5b)-3-Hydroxy-11,20-dioxopregnan-21-yl b-D-glucopyranosiduronic acid, 3a-Hydroxy-11,20-dioxo-5b-pregnan-21-yl b-D-glucopyranosidu ronic acid, 3alpha-Hydroxy-11,20-dioxo-5alpha-pregnan-21-yl beta-D-glucopyranosiduronic acid

Also listed as

Alphadolone 21-b-D-glucuronide Biosynth CAS 36707-55-8
Alphadolone 21-β-D-glucuronide MedChemExpress CAS 36707-55-8