Products 58822-34-7

CAS 58822-34-7 appears in our catalog under these names: (3-Sulfooxy)-Allocholic Acid Disodium Salt, >95% (HPLC), Cholic acid 3-sulfate (sodium), 99.36%. Offered by: TRC, MedChemExpress. Available pack sizes: 25mg, 50mg, 5mg, 5 mg, 1 mg.

(3-Sulfooxy)-Allocholic Acid Disodium Salt, >95% (HPLC)
TRC
  • size: 25mg, 50mg, 5mg
  • Variants: 3
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Cholic acid 3-sulfate (sodium), 99.36%
MedChemExpress
  • size: 5 mg, 1 mg
  • Variants: 2
from 2061.19
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Structural formula: {0} (CAS {1})

Disodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 58822-34-7) is a chemical compound with the molecular formula C24H38Na2O8S and a molecular weight of 532.6 g/mol. IUPAC name: disodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: NXLJBMIFAUQPCW-DTFCWSTJSA-L.

Identity
Molecular formulaC24H38Na2O8S
Molecular weight532.6 g/mol
IUPAC namedisodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyNXLJBMIFAUQPCW-DTFCWSTJSA-L
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Cholic acid 3-sulfate (disodium salt), (3-Sulfooxy)-Allocholic Acid Disodium Salt
Isomers (same molecular formula)
disodium;(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C24H38Na2O8S