Chenodeoxycholic Acid 3-Sulfate Disodium Salt

cas: 60237-34-5 — see every product listed under this CAS number, including other names

Chenodeoxycholic Acid 3-Sulfate Disodium Salt (CAS 60237-34-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC4214
cas60237-34-5
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Disodium;(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 60237-34-5) is a chemical compound with the molecular formula C24H38Na2O7S and a molecular weight of 516.6 g/mol. IUPAC name: disodium;(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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: JZOHDPVZIAVHER-VQNKLXGESA-L.

Identity
Molecular formulaC24H38Na2O7S
Molecular weight516.6 g/mol
IUPAC namedisodium;(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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
InChIKeyJZOHDPVZIAVHER-VQNKLXGESA-L
SMILESC[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Chenodeoxycholic acid 3-sulfate (disodium), (3a,5b,7a)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt, (3Alpha,5beta,7alpha)-7-hydroxy-3-(sulfooxy)-cholan-24-oic acid disodium salt, Chenodeoxycholic acid 3-sulfate disodium
Isomers (same molecular formula)
disodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-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 C24H38Na2O7S

Also listed as

(3a,5b,7a)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt, >95% (HPLC) TRC CAS 60237-34-5
(3Alpha,5Beta,7Alpha)-7-Hydroxy-3-(sulfooxy)-cholan-24-oic Acid Disodium Salt, >95% (HPLC) TRC CAS 60237-34-5
Chenodeoxycholic acid 3-sulfate (disodium), 99.94% MedChemExpress CAS 60237-34-5