Androstane-3alpha,17beta-diol 3-Glucuronide

cas: 65535-18-4 — see every product listed under this CAS number, including other names

Androstane-3alpha,17beta-diol 3-Glucuronide (CAS 65535-18-4) is a chemical reagent available from Chemat. Available pack sizes: 100mg, 10mg, 5mg, 1mg, 25mg, 50mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-A637900-100MG
cas65535-18-4
size100mg
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properties

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delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

(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 (CAS 65535-18-4) is a chemical compound with the molecular formula C25H40O8 and a molecular weight of 468.6 g/mol. IUPAC name: (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. InChIKey: GYNWSIBKBBWJJW-WWLGJQRMSA-N.

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)-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-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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 3-alpha-Androstanediol glucuronide, 3alpha-DIOL-G, 5-alpha-androstane-3 alpha,17 beta-diol glucuronide, 5-Androstane-3alpha,17beta-Diol Glucuronide, 3 alpha-diol G, 3,17-Androstanediol Glucuronide, 3-Hydroxyandrostan-17-Yl-Glucopyranosiduronic Acid, 3alpha-Diol G, 5-alpha-Androstane-3alpha,17beta-diol glucuronide, Androstane-3,17-Diol Glucuronide
Related forms of this compound
(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
(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 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