Products 400870-85-1

CAS 400870-85-1 appears in our catalog under these names: Glycyrrhetic Acid 3-O-beta-Glucuronide, Glycyrrhetic Acid Impurity 3（Glycyrrhetic Acid 3-O-beta-Glucuronide）, 18alpha-Glycyrrhetinic Acid 3-O-beta-D-Glucuronide, >95% (HPLC). Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 2,5mg, 5mg.

Glycyrrhetic Acid 3-O-beta-Glucuronide
Chemat Brand
  • size: on request
  • Variants: 1
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Glycyrrhetic Acid Impurity 3（Glycyrrhetic Acid 3-O-beta-Glucuronide）
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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18alpha-Glycyrrhetinic Acid 3-O-beta-D-Glucuronide, >95% (HPLC)
TRC
  • size: 10mg, 2,5mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 400870-85-1) is a chemical compound with the molecular formula C36H54O10 and a molecular weight of 646.8 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: HLDYLAJAWSKPFZ-QHTHLUDZSA-N.

Identity
Molecular formulaC36H54O10
Molecular weight646.8 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyHLDYLAJAWSKPFZ-QHTHLUDZSA-N
SMILESC[C@]12CC[C@](C[C@@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 18a-Glycyrrhetinic Acid 3-O-b-D-Glucuronide, Glycyrrhizic Acid Impurity 43, 18alpha-Glycyrrhetinic Acid 3-O-b-DGlucuronide
Related forms of this compound
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C36H54O10