Products 58822-35-8

CAS 58822-35-8 appears in our catalog under these names: 7-Sulfocholic Acid Disodium Salt, Cholic acid 7-sulfate (sodium), 99.9%. Offered by: TRC, MedChemExpress. Available pack sizes: 25mg, 50 mg, 10 mg, 25 mg, 5 mg.

7-Sulfocholic Acid Disodium Salt
TRC
  • size: 25mg
  • Variants: 1
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Cholic acid 7-sulfate (sodium), 99.9%
MedChemExpress
  • size: 50 mg, 10 mg, 25 mg, 5 mg
  • Variants: 4
from 2181.94
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Structural formula: {0} (CAS {1})

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 (CAS 58822-35-8) 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)-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. InChIKey: SJQFLGXDOGCPSN-RCVKHMDESA-L.

Identity
Molecular formulaC24H38Na2O8S
Molecular weight532.6 g/mol
IUPAC namedisodium;(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
InChIKeySJQFLGXDOGCPSN-RCVKHMDESA-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)O)C)OS(=O)(=O)[O-])O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: 7-Sulfocholic Acid Disodium Salt, 3,12-Dihydroxy-7-(sulfooxy)-,Cholan-24-oic Acid, Disodium Salt
Isomers (same molecular formula)
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 C24H38Na2O8S