Methyl 3-keto-7a,12a-dihydroxy-5a-cholanoate

cas: 14772-92-0 — see every product listed under this CAS number, including other names

Methyl 3-keto-7a,12a-dihydroxy-5a-cholanoate (CAS 14772-92-0) is a chemical reagent available from Chemat. Available pack sizes: 50mg, 25mg, 100mg. Offered by: Biosynth.

brandBiosynth
catalog numberFM25417-50mg
cas14772-92-0
size50mg
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properties

categoryResearch Chemicals
sub-category 1Sourcing
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 14772-92-0) is a chemical compound with the molecular formula C25H40O5 and a molecular weight of 420.6 g/mol. IUPAC name: methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: CIZOGAIBGCZRCL-SVHSVDIPSA-N.

Identity
Molecular formulaC25H40O5
Molecular weight420.6 g/mol
IUPAC namemethyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyCIZOGAIBGCZRCL-SVHSVDIPSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 3-Keto-7a,12a-dihydroxy-5a-cholanoate, Methyl 3-Keto-7|A,12|A-dihydroxy-5|A-cholanoate, Methyl 3-Keto-7alpha,12alpha-dihydroxy-5alpha-cholanoate, Ursodeoxycholic Acid Impurity 45, CIZOGAIBGCZRCL-SVHSVDIPSA-N, 5alpha-Cholan-24-oic acid, 7alpha,12alpha-dihydroxy-3-oxo-, methyl ester, 5.alpha.-Cholan-24-oic acid, 7.alpha.,12.alpha.-dihydroxy-3-oxo-, methyl ester, Methyl 7,12-dihydroxy-3-oxocholan-24-oate #, 7a,12a-Dihydroxy-3-oxo-5a-cholan-24-oic acid methyl ester, 7|A,12|A-Dihydroxy-3-oxo-5|A-cholan-24-oic Acid Methyl Ester
Related forms of this compound
methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
Isomers (same molecular formula)
bis(2-ethylhexyl) 4-(hydroxymethyl)benzene-1,2-dicarboxylate C25H40O5
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
[(1S,3S,4aR,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H40O5

Also listed as

Ursodeoxycholic Acid Impurity 45 Chemat Brand CAS 14772-92-0
Methyl 3-Keto-7Alpha,12Alpha-dihydroxy-5Alpha-cholanoate, >95% (HPLC) TRC CAS 14772-92-0