Products 114761-91-0

CAS 114761-91-0 appears in our catalog under these names: 5Beta-Androstane-3Alpha,17Beta-diol 3-Glucuronide, >95% (HPLC), 5Beta-Androstane-3Alpha,17Beta-diol3-Glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 1mg, 5mg.

5Beta-Androstane-3Alpha,17Beta-diol 3-Glucuronide, >95% (HPLC)
TRC
  • size: 1mg
  • Variants: 1
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5Beta-Androstane-3Alpha,17Beta-diol3-Glucuronide, >95% (HPLC)
TRC
  • size: 5mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

3-alpha-Androstanediol glucuronide is a steroid glucosiduronic acid.

Source: ChEBI

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

Computed by PubChem (NCBI)

Synonyms: 5Beta-Androstane-3Alpha,17Beta-diol3-Glucuronide
Related forms of this compound
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C25H40O8
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-2,2,3,4,4-pentadeuterio-17-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C25H40O8
Isomers (same molecular formula)
(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 C25H40O8
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-2,2,3,4,4-pentadeuterio-3-hydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid C25H40O8