Products 85701-30-0

CAS 85701-30-0 appears in our catalog under these names: Vitamin D2 beta-D-Glucuronide Sodium Salt, Vitamin D2 b-D-glucuronide sodium salt. Offered by: TRC, Biosynth. Available pack sizes: 10mg, 1mg, 5mg, 2mg.

Vitamin D2 beta-D-Glucuronide Sodium Salt
TRC
  • size: 10mg, 1mg, 5mg
  • Variants: 3
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Vitamin D2 b-D-glucuronide sodium salt
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

Sodium (2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate (CAS 85701-30-0) is a chemical compound with the molecular formula C34H51NaO7 and a molecular weight of 594.8 g/mol. IUPAC name: sodium (2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate. InChIKey: KZPUZRVSBMCROQ-BLZNVSBSSA-M.

Identity
Molecular formulaC34H51NaO7
Molecular weight594.8 g/mol
IUPAC namesodium (2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
InChIKeyKZPUZRVSBMCROQ-BLZNVSBSSA-M
SMILESC[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)C.[Na+]

Computed by PubChem (NCBI)

Synonyms: Vitamin D2 ?-D-Glucuronide Sodium Salt, VitaMin D2 beta-D-Glucuronide SodiuM Salt