Obeticholic Acid Impurity 41

cas: 1537866-49-1 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 41 (CAS 1537866-49-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O022041
cas1537866-49-1
sizeon request
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Structural formula: {0} (CAS {1})

(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol (CAS 1537866-49-1) is a chemical compound with the molecular formula C26H46O3 and a molecular weight of 406.6 g/mol. IUPAC name: (3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol. InChIKey: DQBAHTQWQZRMFH-JDCMAIOWSA-N.

Identity
Molecular formulaC26H46O3
Molecular weight406.6 g/mol
IUPAC name(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
InChIKeyDQBAHTQWQZRMFH-JDCMAIOWSA-N
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCCO)C)C)O

Computed by PubChem (NCBI)

Synonyms: 6alpha-Ethyl-5beta-cholane-3alpha,7alpha,24-triol, (3|A,5|A,6|A,7|A)-6-Ethylcholane-3,7,24-triol, (3?,5?,6?,7?)-6-Ethylcholane-3,7,24-triol
Isomers (same molecular formula)
3-[(E)-docos-10-enyl]oxolane-2,5-dione C26H46O3

Also listed as

Obeticholic Acid Impurity 5 Chemat Brand CAS 1537866-49-1
Obeticholic Acid Impurity 10 Hubei YoungXin CAS 1537866-49-1
(3alpha,5beta,6alpha,7alpha)-6-Ethylcholane-3,7,24-triol TRC CAS 1537866-49-1