(7α,12α)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid

cas: 136014-52-3 — see every product listed under this CAS number, including other names

(7α,12α)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid (CAS 136014-52-3) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-D450625-25MG
cas136014-52-3
size25mg
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Structural formula: {0} (CAS {1})

(6R)-6-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid (CAS 136014-52-3) is a chemical compound with the molecular formula C27H42O5 and a molecular weight of 446.6 g/mol. IUPAC name: (6R)-6-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid. InChIKey: PEIQVFBLXUEBGA-REUWSYPNSA-N.

Identity
Molecular formulaC27H42O5
Molecular weight446.6 g/mol
IUPAC name(6R)-6-[(7R,8R,9S,10R,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
InChIKeyPEIQVFBLXUEBGA-REUWSYPNSA-N
SMILESC[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C

Computed by PubChem (NCBI)

Synonyms: (7alpha,12alpha)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid, (7?,12?)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid, (7I+/-,12I+/-)-7,12-Dihydroxy-3-oxo-cholest-4-en-26-oic Acid
Isomers (same molecular formula)
(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18R)-16,18-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-one C27H42O5
methyl (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-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 C27H42O5
2-(11,17-dihydroxy-1,4,8,12-tetramethyl-18-oxo-16-bicyclo[13.3.0]octadeca-3,7,16-trienyl)propyl acetate C27H42O5
methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-acetyloxy-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 C27H42O5
methyl (4R)-4-[(3R,5S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C27H42O5
methyl 4-(7-acetyloxy-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 C27H42O5