Deoxycholic Impurity 1

cas: 69519-35-3 — see every product listed under this CAS number, including other names

Deoxycholic Impurity 1 (CAS 69519-35-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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cas69519-35-3
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Structural formula: {0} (CAS {1})

Ethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 69519-35-3) is a chemical compound with the molecular formula C26H44O4 and a molecular weight of 420.6 g/mol. IUPAC name: ethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: ZFVNCIMEWULGEX-VAYUFCLWSA-N.

Identity
Molecular formulaC26H44O4
Molecular weight420.6 g/mol
IUPAC nameethyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyZFVNCIMEWULGEX-VAYUFCLWSA-N
SMILESCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: ethyl deoxycholate, deoxycholic acid ethyl ester, Deoxycholic Impurity 1, Ursodeoxycholic Acid Impurity 71, Ethyl (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oate, Cholan-24-oic acid, 3,12-dihydroxy-, ethyl ester, (3alpha,5beta,12alpha)-
Isomers (same molecular formula)
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(2-hydroxy-3-phenylmethoxypropyl) hexadecanoate C26H44O4
(4R)-4-[(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
ethyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C26H44O4
(4R)-4-[(3S,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6S,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4
(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-6-ethyl-3,7-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C26H44O4

Also listed as

Ethyl Deoxycholate, >95% (HPLC) TRC CAS 69519-35-3
(R)–Ethyl 4–((3R,5R,8R,9S,10S,12S,13R,14S,17R)–3,12–dihydroxy–10,13–dimethylhexadecahydro–1H–cyclopenta(a)phenanthren–17–yl)pentanoate GLPBio CAS 69519-35-3
(R)-Ethyl 4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, 96%, 96% Chemat CAS 69519-35-3
(R)-Ethyl 4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Standard) MedChemExpress CAS 69519-35-3
(R)-Ethyl 4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate, 96% Fluorochem CAS 69519-35-3