Products 31300-86-4

CAS 31300-86-4 appears in our catalog under these names: Allopregnanolone Glucuronide, (3(alpha))-Allopregnanolone 3-(beta)-DGlucuronide, >95% (HPLC), (3alpha)-Allopregnanolone 3-beta-D-Glucuronide, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 2,5mg, 25mg.

Allopregnanolone Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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(3(alpha))-Allopregnanolone 3-(beta)-DGlucuronide, >95% (HPLC)
TRC
  • size: 2,5mg
  • Variants: 1
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(3alpha)-Allopregnanolone 3-beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-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]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 31300-86-4) is a chemical compound with the molecular formula C27H42O8 and a molecular weight of 494.6 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-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]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: MTPPQBWTGIHMPB-WONTYKMSSA-N.

Identity
Molecular formulaC27H42O8
Molecular weight494.6 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-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]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyMTPPQBWTGIHMPB-WONTYKMSSA-N
SMILESCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C

Computed by PubChem (NCBI)

Synonyms: (3alpha)-Allopregnanolone 3-beta-D-Glucuronide, (3a)-Allopregnanolone 3-b-D-Glucuronide, (3(alpha))-Allopregnanolone 3-(beta)-DGlucuronide, Allopregnanolone-D5 B-D-Glucuronide
Related forms of this compound
(2S,3S,4S,5R,6R)-6-[[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-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]-3,4,5-trihydroxyoxane-2-carboxylic acid C27H42O8