Products 95237-44-8

CAS 95237-44-8 appears in our catalog under these names: Androstane-3alpha,17beta-diol 17-Glucuronide, 5α-Androstan-3α,17β-diol-17β-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 100mg, 5mg, 1mg, 10mg, 50mg, 25mg.

Structural formula: {0} (CAS {1})

5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid is a steroid glucosiduronic that is 5alpha-androstane-3alpha,17beta-diol carrying a glucosiduronic acid residue at position 17. It is a steroid glucosiduronic acid and a 3alpha-hydroxy steroid. It is functionally related to a 5alpha-androstane-3alpha,17beta-diol. It is a conjugate acid of a 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronate.

Source: ChEBI

Identity
Molecular formulaC25H40O8
Molecular weight468.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid
InChIKeyZJYZOWMDMWQJIV-WWLGJQRMSA-N
SMILESC[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O

Computed by PubChem (NCBI)