Products 84344-78-5

CAS 84344-78-5 is the registry number for 5-Hydroxyvitamin D3 25-Glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 5mg, 10mg, 25mg.

5-Hydroxyvitamin D3 25-Glucuronide
TRC, Biosynth
  • size: 5mg, 10mg, 25mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 84344-78-5) is a chemical compound with the molecular formula C33H52O8 and a molecular weight of 576.8 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: RQQPJTROOXJOLQ-YKPSUMTISA-N.

Identity
Molecular formulaC33H52O8
Molecular weight576.8 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[(6R)-6-[(3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyRQQPJTROOXJOLQ-YKPSUMTISA-N
SMILESC[C@H](CCCC(C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C

Computed by PubChem (NCBI)

Synonyms: 5-Hydroxyvitamin D3 25-glucuronide
Isomers (same molecular formula)
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol C33H52O8
(2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C33H52O8