Obeticholic Acid Impurity 40

cas: 915038-24-3 — see every product listed under this CAS number, including other names

Obeticholic Acid Impurity 40 (CAS 915038-24-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-O022040
cas915038-24-3
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Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-6-ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 915038-24-3) is a chemical compound with the molecular formula C26H40O4 and a molecular weight of 416.6 g/mol. IUPAC name: (4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-6-ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: NNNCIQYLYWIMIU-JDNINRFJSA-N.

Identity
Molecular formulaC26H40O4
Molecular weight416.6 g/mol
IUPAC name(4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-6-ethenyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyNNNCIQYLYWIMIU-JDNINRFJSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C([C@H]4[C@@]3(CC[C@H](C4)O)C)C=C)C

Computed by PubChem (NCBI)

Synonyms: (3|A,5|A)-6-Ethenyl-3-hydroxy-7-oxo-cholan-24-oic acid, (3alpha,5beta)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid
Isomers (same molecular formula)
[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate C26H40O4
(4R)-4-[(3R,5R,6Z,8S,9S,10R,13R,14S,17R)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxo-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4
(4R)-4-[(5S,6R,8S,9S,10S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H40O4
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid C26H40O4

Also listed as

Obeticholic Acid Impurity 15 Hubei YoungXin CAS 915038-24-3
(3alpha,5beta)-6-Eethylidene-3-hydroxy-7-oxocholan-24-oic Acid TRC CAS 915038-24-3
(3alpha,5beta)-6-Ethylidene-3-hydroxy-7-oxocholan-24-oic acid Biosynth CAS 915038-24-3