5alfa-Cholanic acid-3alfa-ol-6-one 3-acetate methyl ester

cas: 2616-79-7 — see every product listed under this CAS number, including other names

5alfa-Cholanic acid-3alfa-ol-6-one 3-acetate methyl ester (CAS 2616-79-7) is a chemical reagent available from Chemat. Available pack sizes: 2g, 1g, 5g. Offered by: Biosynth.

brandBiosynth
catalog numberFC176509-2g
cas2616-79-7
size2g
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properties

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

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 (CAS 2616-79-7) is a chemical compound with the molecular formula C27H42O5 and a molecular weight of 446.6 g/mol. IUPAC name: 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. InChIKey: KCGQCQPWFSUPDS-SFESAZTESA-N.

Identity
Molecular formulaC27H42O5
Molecular weight446.6 g/mol
IUPAC namemethyl (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
InChIKeyKCGQCQPWFSUPDS-SFESAZTESA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester, orb2943993, Methyl (3|A,5|A)-3-(acetyloxy)-6-oxocholan-24-oate, Methyl 3alpha-(acetyloxy)-6-oxo-5alpha-cholan-24-oate, 5alfa-Cholanic acid-3alfa-ol-6-one 3-acetate methyl ester, Methyl (3alpha,5alpha)-3-(acetyloxy)-6-oxocholan-24-oate, 5alpha-Cholanic acid-3alpha-ol-6-one 3-acetate methyl ester, ~97%
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
(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 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 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

Also listed as

5α–Cholanic acid–3α–ol–6–one 3–acetate methyl ester GLPBio CAS 2616-79-7
Methyl (3α,5α)-3-(acetyloxy)-6-oxocholan-24-oate MedChemExpress CAS 2616-79-7