Chenodeoxycholic acid 3-sulfate

cas: 59132-32-0 — see every product listed under this CAS number, including other names

Chenodeoxycholic acid 3-sulfate (CAS 59132-32-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-113360-Get quote
cas59132-32-0
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Structural formula: {0} (CAS {1})

Chenodeoxycholic acid 3-sulfate is a steroid. It is a conjugate acid of a chenodeoxycholate 3-sulfate(2-).

Source: ChEBI

Identity
Molecular formulaC24H40O7S
Molecular weight472.6 g/mol
IUPAC name(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyWHMOBEGYTDWMIG-BSWAIDMHSA-N
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

Computed by PubChem (NCBI)

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